

Caltech ASC Center Publications List
Computational and Computer Science

citascitr329 
"Discrete Willmore Flow," A.
Bobenko and P. Schröder. Appeared in Eurographics Symposium
on Geometry Processing, 2005. 
citascitr328 
"Multiscale Representations
for ManifoldValued Data," I. Rahman, I. Drori, V. Stodden, D. Donoho,
and P. Schröder. Multiscale Model. Simul. 4(4), 2005,
12011232. 
citascitr327 
"Variational Methods in Surface Parameterization,"
N. Litke. Ph.D. Thesis, Caltech, 2005. 
citascitr326 
"Discrete, CirculationPreserving,
and Stable Simplicial Fluids," S. Elcott. MS
Thesis, Caltech, 2005. 
citascitr325 
"Discrete Conformal Mappings vis Circle
Patterns," L. Kharevych, B. Springborn and P. Schröder.
Submitted for Publication, 2005. 
citascitr324 
"Unconstrained Spherical Parmeterization,"
I. Friedel, P. Schröder and M. Desbrun.
To appear in ACM Transacations on Graphics. 
citascitr323 
"Load
Balancing Strategies for Parallel SAMR Algorithms," R. Rotta.SURF
2005 Final Report, Catlech, Pasadena, CA. 
citascitr310 
"A visual Stack Based Paradigm
for Visualization Environments," M. Gilbert and S. Lombeyda. 
citascitr309 
"TetSplat: RealTime Rendering
and Volume Clipping of Large Unstructured Tetrahedral Meshes," K.
Museth and S. Lombeyda. Visualization, IEEE 1015 Oct. 2004,
433440, Abstract. 
citascitr308 
"Vector Field Analysis and Visualization
through Variational Clustering," A. McKenzie, S. Lombeyda and M.
Desbrun. Eurographics  IEEE VGTC Symposium on Visualization 2005. 
citascitr292 
"An Image Processing Approach
to Surface Matching," N. Litke, M. Droske, M. Rumpf, and P. Schröder, Submitted
to Eurographics Symposium of Geometry Processing, 2005, 110. 
citascitr282 
"Construction and Application of an AMR Algorithm
for Distributed Memory Computers," R. Deiterding, Submitted for
publication. 
citascitr234 
"An Outofcore Algorithm for Isosurface Topology
Simplification," Z. Wood, H. Hoppe, M. Desbrun and P. Schreder. ACM
Transactions on Graphics 23(2), 2004, 190208 (2004). 
citascitr233 
"Variational Normal Meshes," I. Friedel, A.
Khodakovsky and P. Schreder. ACM Transactions
on Graphics 23(4), 2004, 10611073. 
citascitr232 
"Immersive Design for DNA Molecules with a Tangible
Interface," S. Schkolne, H. Isii and P. Schreder. Proceedings of
IEEE Visualization, 2004. 
citascitr231 
"Axioms and Variational Problems in Surface Parameterization," U.
Clarenz, N. Litke and M. Rumpf, Computer Aided Geometric Deisgn 21(8),
2004, 727749. 
citascitr230 
"Extensible Hierarchical Tactic Construction in
a Logical Framework," J. Hickey and A. Nogin. 
citascitr229 
"A Mechanism for Sequential Consistency in a Distributed
Objects System," C. Tapus, A. Nogin, J. Hickey, and J. White. 
citascitr228 
"Reliable Frameworks for Extensible Compilers," J.
Hickey, N. Gray, A. Nogin and C. Tapus. ICFP '04 Submission. 
citascitr227 
"Building Reliable Compilers with a Formal Methods
Framework," N. Gray, C. Tapus, A. Nogin and J. Hickey. 
citascitr207 
"GridARM: An Autonomic Runtime
Management Framework for SAMR Applications in Grid Environments," S.
Chandra, M. Parashar, and S. Hariri. In the Proceedings of the Autonomic
Applications Workshop, 10th International Conference on High Performance
Computing (HiPC 2003), Hyderabad, India, December 2003. 
citascitr206 
"Engineering an Autonomic Partitioning Framework
for Gridbased SAMR Applications," S. Chandra, X. Li, and M. Parashar.
To appear in Hardware/Software Support for Parallel and Distributed Scientific
Engineering Computing, Editor: L. T. Yang, Kluwer Academic Publishers,
September 2003. 
citascitr205 
"Dynamic Load Partitioning Strategies
for Managing Data of Space and Time Heterogeneity in Parallel SAMR Applications," X.
Li and M. Parashar. In the Proceedings of 9th International EuroPar
Conference (EuroPar 2003), Lecture Notes in Computer Science, Editors:
H. Kosch, L. Boszormenyi, H. Hellwagner, SpringerVerlag, Klagenfurt,
Austria, 2790, 2003, 181188. 
citascitr204 
"Hierarchical Partitioning Techniques for Structured
Adaptive Mesh Refinement Applications," X. Li and M. Parashar. Journal
of Supercomputing 28(3), 2004, 265278. 
citascitr203 
"Towards Autonomic ApplicationSensitive
Partitioning for SAMR Applications," S. Chandra and M. Parashar. Journal
of Parallel and Distributed Computing 65(4), 2005, 519531. 
citascitr202 
"A Middleware Substrate for Integrating
Services on the Grid," V. Bhat and M. Parashar. Proceedings
of the 10th International Conference on High Performance Computing (HiPC
2003), Lecture Notes in Computer Science, Editors: T.M. Pinkston, V.K.
Prasanna, SpringerVerlag, Hyderabad, India, 2913, 2003, 373–382. 
citascitr201 
"Enabling Interactive and Collaborative Computational
Science on the Grid," P. Mehra and M. Parashar. Proceedings
of the1st International Workshop on Webbased Collaboratories (Wbc2003),
IADIS International Conference WWW/Internet 2003, Algarve, Portugal,
November 2003. 
citascitr200 
"Enabling PeertoPeer Interactions
for Scientific Applications on the Grid," V. Matossian and M. Parashar. Proceedings
of the 9th International EuroPar Conference (EuroPar 2003), Lecture
Notes in Computer Science, Editors: H. Kosch, L. Boszormenyi, H. Hellwagner,
SpringerVerlag, Klagenfurt, Austria, 2790, 2003, 1240–1247. 
citascitr199 
"DIOS++: A Framework for RuleBased Autonomic Management
of Distributed Scientific Applications," H. Liu and M. Parashar. Proceedings
of the 9th International EuroPar Conference (EuroPar 2003), Lecture
Notes in Computer Science, Editors: H. Kosch, L. Boszormenyi, H. Hellwagner,
SpringerVerlag, Klagenfurt, Austria, 2790, 2003, 66–73. 
citascitr198 
"Real Time Feature Extraction
and Tracking in a Computational Steering Environment," J. Chen,
D. Silver and M. Parashar. Proceedings of the High Performance Computing
Symposium (HPC2003), Society for Modeling and Simulation International,
San Diego, 2003, 155160. 
citascitr178 
"Symposium on Geometry Processing," L. Kobbelt,
P. Schröder, and H. Hoppe, Eds. Eurographics, 2003. 
citascitr177 
"C1Continuous Terrain
Reconstruction from Sparse Contours," K. Hormann, S. Spinello, and
P. Schröder. In Proceedings of Vision, Modeling, and Visualization,
2003. 
citascitr176 
"Discrete Shells," E. Grinspun, A. Hirani,
M. Desbrun, and P. Schröder. In Symposium on Computer Animation, 2003,
62–67. 
citascitr175 
"Sparse Matrix Solvers on the
GPU: Conjugate Gradients and Multigrid," J. Bolz, I. Farmer, E.
Grinspun, and P. Schröder. ACM Transactions on Graphics 22(3),
2003, 917–924. 
citascitr174 
"Progressive Encoding of Complex Isosurfaces," H.
Lee, M. Desbrun, and P. Schröder. ACM Transactions on Graphics 22(3),
2003, 471–476. 
citascitr173 
"Globally Smooth Parameterizations with Low Distortion," A.
Khodakovsky, N. Litke, and P. Schröder. ACM Transactions on
Graphics 22(3), 2003, 350–357. 
citascitr172B 
"Multilevel Solvers for Unstructured Surface Meshes," B.
Aksoylu, A. Khodakovsky, and P. Schröder. SIAM
J. Sci. Comput. 26(4),
2005, 11461165. 
citascitr172A 
"DataDependent Fairing of Subdivision
Surfaces," I. Friedel, P. Mullen, and P. Schröder. In ACM
Solid Modeling Symposium 2003, 185–195. 
citascitr171 
"Evaluation of Subdivision Surfaces on Programmable
Graphics Hardware," J. Bolz, and P. Schröder. Submitted for
publication, 2003. 
citascitr162 
"An odyssey into local refinement
and multilevel preconditioning I: Optimality of the BPX preconditioner," B.
Aksoylu and M. Holst. SIAM Jounral on Numerical Analysis 2002. 
citascitr161 
"An odyssey into local refinement and multilevel
preconditioning II: Stabilizing hierarchical basis methods," B.
Aksoylu and M. Holst. SIAM Jounral on Numerical Analysis 2002. 
citascitr160 
"An odyssey into local refinement
and multilevel preconditioning III: Implementation and numerical experiments," B.
Aksoylu, S. Bond, and M. Holst. Proceedings of the 7th Copper Mountain
Conference on Iterative Methods 2002. 
citascitr159 
"Subdivision, multiresolution and the construction
of scalable algorithms in computer craphics," P. Schröder. Multivariate
Approximation and Applications 2001, 213251, Cambridge University
Press. 
citascitr158 
"Drawing with the Hand in Free Space," S.
Schkolne. Leonardo, 35(4), 2002. 
citascitr157 
"Composite Primal/Dual
Subdivision
Schemes," P. Oswald and P. Schröder. Computer Aided Geometric
Design 20(5), 2003, 135–164. 
citascitr156 
"Tangible + Virtual = A Flexible 3D Interface for
Spacial Construction Applied to DNA," S. Schkolne, H. Ishii, and
P. Schröder. Submitted for publication, 2002. 
citascitr155 
"Subdivision as a Fundamental Building Block of Digital Geometry
Processing Algorithms," P. Schröder. Journal of Computational
and Applied Mathematics 149(1), 2002, 207–219. 
citascitr154 
"CHARMS: A Simple Framework for
Adaptive Simulation," E. Grinspun, P. Krysl, and P. Schröder. ACM
Transactions on Graphics 21(3 ), 2002, 281–290. 
citascitr153 
"Discrete DifferentialGeometry Operators for Triangulated
2Manifolds," M. Desbrun, M. Meyer, P. Schröder, and A. Barr. In
Visualization and Mathematics III, K. P. HansChristian Hege, Ed.
Springer Verlag, 2002, 35–57. 
citascitr152 
"Hybrid Meshes: Multiresolution
using Regular and Irregular Refinement," I. Guskov, A. Khodakovsky,
P. Schröder, and W. Sweldens. Proceedings of the Eighteenth
Annual Symposium on Computational Geometry, 2002, 264272. 
citascitr151 
"NearOptimal Connectivity Encoding of 2Manifold
Polygon Meshes," A. Khodakovsky, P. Alliez, M. Desbrun, and P. Schröder. Graphical
Models 64, 2002, 147–168. 
citascitr150 
"Natural Hierarchical Refinement
for Finite Element Methods," P. Krysl, E. Grinspun and P. Schröder. International
Journal for Numerical Methods in Engineering 56(8), 2003, 1109–1124. 
citascitr149 
"Rapid Evaluation of CatmullClark Subdivision
Surfaces," J. Bolz and P. Schröder. In Proceedings of Web3D,
11–17, 2002. 
citascitr148 
"Fitting Subdivision Surfaces," N.
Litke, A. Levin and P. Schröder. Proceedings of IEEE Scientific
Visualization, 2001, 319324 . 
citascitr147 
"Normal Bounds for SubdivisionSurface Interference
Detection," E. Grinspun and P. Schröder. Proceedings of
IEEE Scientific Visualization, 2001, 333340 . 
citascitr146 
"An Outofcore Algorithm for Isosurface Topology
Simplification," Z. Wood, H. Hoppe, M. Desbrun, and P. Schröder. ACM
TOG, April 2004. 
citascitr086 
"An Approach to Immersive Performance Visualization
of Parallel and WideArea Distributed Applications," L. DeRose,
M. Pantano, R. Aydt, E. Shaffer, B. Shaeffer, S. Whitmore, D.A. Reed. 
citascitr085 
"ARIMA Time Series Modeling and Forecasting for
Adaptive I/O Prefetching," N. Tran and D.A. Reed. 
citascitr084 
"Performance Analysis and Visualization," D.A.
Reed and R.L. Ribler, (from the book Computational Grids: State of the
Art and Future Directions in HighPerformance Distributed Computing,
Ian Foster and Carl Kesselman (eds), MorganKaufman Publishers, August
1998. 
citascitr083 
"Performance Analysis of Parallel Systems: Approaches
and Open Problems," D.A. Reed, R.A. Aydt, L. DeRose, C.L. Mendes,
R.L. Ribler, E. Shaffer, H. Simitci, J.S. Vetter, D.R. Wells, S. Whitmore,
and Y. Zhang. 
citascitr081 
"Virtue: Immersive Performance Visualization
of Parallel and Distributed Applications," E. Shaffer, D.A. Reed,
S. Whitmore, and B. Shaeffer. 
citascitr077 
"A Fast Algorithm for Computing the Closest Point
and Distance Transform," S. Mauch. 
citascitr064 
"Performance of an Infrastructure for Worldwide
Parallel Computing," T.T. Kwan and D.A. Reed. 
citascitr063 
"The Autopilot PerformanceDirected Adaptive
Control System," R.L. Ribler, H. Simitci, and D.A. Reed. 
citascitr062 
"An Integrated Compilation and Performance Analysis
Environment for Data Parallel Programs," V.S. Adve, J. MellorCrummey,
M. Anderson, K. Kennedy, J.C. Wang, and D.A. Reed. 
citascitr061 
"An Extension of the DivideandConquer Method
for a Class of Symmetric BlockTridiagonal Eigenproblems," W.N.
Gansterer, R.C. Ward, and R.P. Muller. 
citascitr053 
"Realtime Performance Monitoring, Adaptive Control,
and Interactive Steering of Computational Grids," J.S. Vetter and
D.A. Reed. 
citascitr052 
"Managing Performance Analysis with Dynamic Statistical
Projection Pursuit," J.S. Vetter and D.A. Reed. 
citascitr051 
"A Framework for Adaptive Storage Input/Output
on Computational Grids," H. Simitci, D.A. Reed, R. Fox, M. Medina,
J. Oly, N. Tran, and G. Wang. 
citascitr050 
"Adaptive Disk Striping for Parallel Input/Output," H.
Simitci and D.A. Reed. 
citascitr048 
"Delphi: An Integrated, LanguageDirected
Performance Prediction, Measurement, and Analysis Environment," D.A.
Reed, D.A. Padua, I.T. Foster, D.B. Gannon, and B.P. Miller. 
citascitr047 
"SvPablo: A MultiLanguage ArchitectureIndependent
Peformance Analysis System," L.A. De Rose and D.A. Reed. 
citascitr046 
"Autopilot: Adaptive Control of Distributed Applications," R.L.
Ribler, J.S. Vetter, H. Simitci, and D.A. Reed. 
citascitr045 
"Integrated Compilation and Scalability Analysis
for Parallel Systems," C.L. Mendes and D.A. Reed. 
citascitr044 
"SvPablo: A MultiLanguage Performance
Analysis System," L. De Rose, Y. Zhang, and D.A. Reed. 
citascitr035 
"Implicit Fairing of Irregular Meshes Using Diffusion
and Curvature Flow," M. Desbrun, M. Meyer, P. Schröder, and
A.H. Barr. 
citascitr034 
"Interactive Animations of Structured Deformable
Objects," M. Desbrun, P. Schröder, A. Barr. 
Solid Dynamics

citascitr366 
"A polyconvex model of materials with
cubic symmetry," N. Kambouchev, J.F. FernandezAlcazar, and R. Radiovitzky.
Submitted to Modelling and Simulation in Materials
Science and Engineering,
2007. 
citascitr365 
"A continuum model describing the reverse
grainsize dependence of the strength of nanocrystalline metals," A. Jérusalem,
L. Strainer, and R. Radiovitzky. Published online, Philosophical
Magazine,
February 27, 2007. 
citascitr364 
"Influence of ingrain mesh resolution
on the prediction of deformation textures in f.c.c. polycrystals," Z. Zhao,
S. Kuchnicki, A. Cuitiño, and R. Radiovitzky. ACTA
Materialia 55(7),
23612373, 2007. 
citascitr363 
"A discrete mechanics approach to dislocation
dynamics in BCC crystals," A. Ramasubramaniam, M.P. Ariza, and M.
Ortiz. J. Mech. Phys. Solids 55, 615647, 2007, 
citascitr358 
"On the numerical implementation of variational
arbitrary LagrangianEulerian (VALE) formulations," J. Mosler and M.
Ortiz. Int. J. Numer. Meth. Eng. 67, 12721289, 2006. 
citascitr357 
"BV estimates for mortar methods in linear
elasticity," P. Hauret and M. Ortiz. J. Comput.
Meth. Appl. Mech. Eng. 195,
47834793, 2006. 
citascitr356 
"A recursivefaulting model of distributed
damage in confined brittle materials," A. Pandolfi, S. Conti, and M. Ortiz.
J. Mech. Phys. Solids 54, 19722003, 2006. 
citascitr355 
"Local maximumentropy approximation
schemes: a seamless bridge between finite elements and meshfree methods,"
M. Arroyo and M. Ortiz. Int. J. Numer. Meth. Eng. 65,
21672202, 2006. 
citascitr354 
"A variational formulation of the coupled
thermomechanical boundaryvalue problem for general dissipative solids."
Q.Yang, L. Stainier L, and M. Ortiz. J. Mech. Phys.
Solids 54, 401424,
2006. 
citascitr353 
"A variational constitutive model for
porous metal plasticity," K. Weinberg, A. Mota, and M. Ortiz. Comput.
Mech. 37,142152, 2006. 
citascitr352 
"A FiniteDeformation Constitutive Model
of bulk Metallic Glass Plasticity," Q. Yang, A. Mota and M. Ortiz. Comput.
Mech. 37, 194204, 2006. 
citascitr342 
"A virtual test facility for the simulation
of dynamic response in materials," J. Cummings, M. Aivazis, R. Samtaney,
R. Radiovitzky, S. Mauch, and D. Meiron. J. Supercomput. 23,
3950, 2002. 
citascitr341 
"Prediction
of dislocation nucleation during nanoindentation of Al3Mg
by the orbitalfree density functional theory local quasicontinuum method,"
L. Hayes, G.S. Ho, M. Ortiz, and E.A. Carter. Philosphical Magazine,
86(10), 23432358, 2006. 
citascitr339 
"FirstPrinciples Thermoelasticity fo bcc iron under
pressure," X. Sha and R.E. Cohen. Submitted to Phys.
Rev. B, 2006. 
citascitr335 
"Nanoscale Anisotropic Plastic Deformation in
Single Crystal Aragonite," C. Kearney, Z. Zhao, B.J.F. Bruet, R.
Radovitzky, M.C. Boyce, and C. Ortiz. Accepted for Publication in Physical
Review Letters, 96(Art. No. 255505), 2006. 
citascitr333 
"Thermal Effects on Lattice Strain in eFe Under
Pressure,"
X. Sha and R.E. Cohen. Phys. Rev. B 74, 064103, 2006. 
citascitr332 
"Lattice Dynamics and Thermodynamics of bcc iron
under pressure: firstprinciples linear response study," X. Sha and
R.E. Cohen. Phys.
Rev. B 73(10), 104303, 2006. 
citascitr312 
Quantum Mechanics Based Multiscale Modeling of StressInduced
Phase Transformations in Iron", A. Lew, K. Caspersen, E.A. Carter, and
M. Ortiz.
J. Mech. Phys. Solids, 54, 2006, 1276. 
citascitr311 
"An Introduction to OrbitalFree
Density Theory," V. Lignères and E.A. Carter. In Handbook
of Materials Modeling, S. Yip (Ed.), 2005. 
citascitr303 
"A general discontinuous Galerkin
method for finite hyperplasticity. Formulation and numerical applications," L.
Noels and R. Radiovitsky. International Journal of Numerical Methods
in Engineering 68(1), 6497, 2006. 
citascitr301 
"Efficient and robust constitutive
integrators for singlecrystal plasticity modeling," S.N. Kuchnicki,
A.M. Cuitiño, and R.A. Radiovitzky. International
Journal of Plasticity 22, 19882011, 2006. 
citascitr297 
"Finding Transition States for
Crysalline SolidSolid Phase Transformations," K.J.Caspersen, E.
A. Carter. Proceedings of the National Academy of Sciences 102,
2005, 67386734. 
citascitr294 
"A class of variational strainlocalization
finite element," Q. Yang, A. Mota, M. Ortiz. International Journal
for Numerical Methods in Engineering 62, 2005, 28932900. 
citascitr293 
"Nanovoid deformation in aluminum
under simple shear," J. Marian, J. Knap, M. Ortiz. Acta Materialia 53,
2005, 28932900. 
citascitr291 
"Experimental measurement of mixedmode cohesive zone
laws of adhesive bonds," S. Hong, V.B. Chalivendra, A.J. Rosakis, J.
Knap, and M. Ortiz. SEM Annual Conference & Exposition Symposium ,
Portland, OR, June 79, 2005. 
citascitr289 
"Decomposition Contact Response (DCR) for Explicit Finite
Element Dynamics," F. Cirak and M. West. 
citascitr288 
"A Cohesive Approach to ThinShell Fracture and Fragmentation," F.
Cirak, M. Ortiz, A. Pandolfi. Computer Methods Application Mechanical
Engineering 194, 2005, 26042618. 
citascitr287 
"A LagrangianEulerian shellfluid coupling algorithm
based on level sets," F. Cirak and R. Radovitzky. Computers and Structures 83,
491498, 2005. 
citascitr286 
"An algorithm for modeling the interaction of a flexible
rod with a twodimensional highspeed flow," D. Tam, R. Radovitzky, and
R. Samtaney. Accepted for publication in the International Journal
for Numerical Methods in Engineering 64(8), 10571077, 2005. 
citascitr285 
"A study of surface roughening
in fcc metals using direct numerical simulation," Z. Zhao, R. Radiovitsky,
and A. Cuitiño. Acta Materialia 52, 57915804, 2004. 
citascitr247 
"Nanovoid Cavitation by Dislocation Emission in
Aluminum," J. Marian, J. Knap and M. Ortiz. Physical Review
Letters 93(16), 2004, 1655031  1655034. 
citascitr246 
"Prediction of dislocation nucleation during nanoindentation
by the orbitalfree density functional theory local quasicontinuum method," R.L.
Hayes, M. Fago, M. Ortiz, and E.A. Carter. Multiscale Modeling and Simulation,
Submitted, 2004. 
citascitr245 
"Densityfunctionaltheorybased local quasicontinuum
method: Prediction of dislocation nucleation," M. Fago, R.L. Hayes,
E.A. Carter and M. Ortiz. Physical Review B 70, 2004, 100102(R). 
citascitr244 
"Comment on 'On the importance of the free energy
for elasticity under pressure'," G. SteinleNeumann, R.E. Cohen. Journal
of Physics: Condensed Matter 16(47), 2004, 87838786. 
citascitr243 
"Physical properties of iron in the inner core," G.
SteinleNeumann, L. Stixrude and R.E. Cohen. In Core dynamics, structure,
and rotation, Geodynamics Series 31, 2002, 137162, edited by V.
Dehant et al., American Geophysical Union, Washington, DC. 
citascitr242 
"Magnetism in iron as a function of pressure," G.
SteinleNeumann, R.E. Cohen, and L. Stixrude. Journal of Physics:
Condensed Matter 16(14), 2004, S1109S1119. 
citascitr241 
"Universal bindingenergy relation for crystals
that accounts for surface relaxation," R.L. Hayes, M. Ortiz and
E.A. Carter. Physical Review B 69, 2004, 1721041  1721044. 
citascitr240 
"Importance of Shear in the bcctohcp Transformation
in Iron," K.J. Caspersen, A. Lew, M. Ortiz and E.A. Carter. Physical
Review Letters 93(11), 2004, 1155011  1155014. 
citascitr239 
"Effective cohesive behavior of layers of interatomic
planes," A. Braides, A.J. Lew and M. Ortiz. Arch.
Rational Mech. Anal. 86, 23432358, 2006. 
citascitr238 
"Discrete Crystal Plasticity," M.P. Ariza
and M. Ortiz. Submitted for publication. 
citascitr237 
"A multiphase field model of planar dislocation
networks," M. Koslowski and M. Ortiz. Modelling and Simulations
in Materials Science and Engineering 12, 2004, 10871097. 
citascitr236 
"A constrained sequentiallamination algorithm
for the simulation of subgrid microstructure in martensitic materials," S.
Aubry, M. Fago and M. Ortiz. Journal of Computer Methods in Applied
Mechanics and Engineering 192, 2003, 28232843. 
citascitr235 
"A variational radaption and shapeoptimization
method for finitedeformation elasticity," P. Thoutireddy and M.
Ortiz. International Journal for Numerical Methods in Engineering 61,
2004, 121. 
citascitr211 
"Noncollinear magnetism in iron at high pressures," R.
E. Cohen. PEPI, Verbania Special Issue, Ed., D. Rubie, 2003. 
citascitr210 
"Magnetism in dense hexagonal iron," G. SteinleNeumann,
L. Stixrude, and R.E. Cohen. Proceedings of the National Academy of Science,
in press, 2003. 
citascitr197 
"Effect of IndenterRadius Size
on Au(001) Nanoindentation," J. Knap and M. Ortiz. Physical
Review Letters 90(22), 2003, 22610212261024. 
citascitr196 
"Multiscale Modelling of Hardening in BCC Crystal
Plasticity," L. Stainier, A.M. Cuitiño, and M. Ortiz. Journal
de Physique IV 105, 2003, 157164. 
citascitr195 
"A Variational Arbitrary LagrangianEulerian (VALE)
Method of Mesh Adaption and Optimization in Static FiniteElement Calculation," P.
Thoutireddy and M. Ortiz. International Journal for Numerical Methods
in Engineering, submitted for publication, April 2003. 
citascitr194 
"A Study of solidparticle erosion
of metallic targets," J.F. Molinari and M. Ortiz. International
Journal of Impact Engineering 27, 2002, 347358 . 
citascitr193 
"Statistical mechanicsof dissipative systems," M.
Koslowski and M. Ortiz. Physical Review Letters, submitted for publication,
2003. 
citascitr145 
"An Efficient Adaptive Procedure for ThreeDimensional
Fragmentation Simulations," A. Pandolfi and M. Ortiz Journal of
Engineering with Computers. Engineering with Computers 18, 2002,
148159. 
citascitr144 
"The Mechanics of DeformationInduced
SubgrainDislocation Structures in Metallic Crystals at Large Strains," S.
Aubry and M. Ortiz. Proceedings of the Royal Society London A 451,
2003, 31313158 . 
citascitr143 
"A multiscale approach for modeling
crystalline solids," A.M. Cuitiño, L. Stainier, G.F. Wang,
A. Strachan, T. Cagin, W.A. Goddard, and M. Ortiz . Journal of ComptuerAided
Materials Design 8, 2002, 127149. 
citascitr142 
"A micromechanical model of hardening, rate sensitivity
and thermal softening in bcc single crystals," L. Stainier, A.M.
Cuitiño AM, M. Ortiz. Journal of Mechanics and Physical of
Solids 50, 2002, 15111545 . 
citascitr141 
"Mixed atomistic continuum models
of material behavior: The art of transcending atomistics and informing
continua," M. Ortiz, A.M. Cuitiño, J. Knap, and M. Koslowski. Materials
Research Society Bulletin,16, March 2001. 
citascitr140 
"An artificialviscosity method
for the lagrangian analysis of shocks in solids with strength on unstructured,
arbitraryorder tetrahedral meshes," A. Lew, R. Radovitzky, and
M. Ortiz. Journal of ComputerAided Materials Design 8,
213231, 2001. 
citascitr139 
"A theory of subgrain dislocation
structures," M. Ortiz, E.A. Repetto, and L. Stainier. Journal
of the Mechanics and Physics of Solids 48, 2000, 20772114. 
citascitr138 
"A phasefield theory of dislocation
dynamics, dtrain hardening and hysteresis in ductile single crystals," M.
Koslowski, A.M. Cuitiño and M. Ortiz. Journal of the Mechanics
and Physics of Solids 50, 2002, 25972653. 
citascitr127 
"An Exactly Solvable PhaseField Theory of Dislocation
Dynamics, Strain Hardening and Hysteresis in Ductile Single Crystals," M.
Koslowski, A.M. Cuitino and M. Ortiz. 
citascitr101 
"An Analysis of the Quasicontinuum Method," J.
Knap and M. Ortiz. Journal of the Mechanics and Physics of Solids 49(9),
2001, 18991923. 
citascitr099 
"3D Modelling of Intersonic Crack Growth in Unidirectional
Composite Plates," C. Yu, A. Pandolfi, D. Coker, M. Ortiz, and A.J.
Rosakis. Int. J. Solids. Struct. 39(25), 2002, 61356157. 
citascitr098 
"3D Cohesive investigation for Brittle Materials," C.
Yu, A. Pandolfi, M. Ortiz Proc. of II International Conference on Fracture
and Damage Mechanics FDM, Milano (Italy) September 1820, 2001, in 'Advances
in fracture and damage mechanics II,' M. Guagliano, M.H. Aliabadi (eds.)
Hoggar, 2001, 319327. 
citascitr097 
"Modeling Dynamic Fracture in Transversely Isotropic
Composites: a Cohesive Approach," A. Pandolfi, C. Yu, A. Corigliano,
M. Ortiz XV AIMETA Congress, Taormina (published on CD), October 2629,
2001. 
citascitr095 
"TimeDiscretized Variational Formulation of nonsmooth
Frictional Contact," A. Pandolfi, C.Kane, J.E. Marsden, and M. Ortiz. Int.
J. Numer. Meth. Eng. 53(8), 2002, 18011829. 
citascitr094 
"ThreeDimensional cohesive modeling of dynamic
mixedmode fracture," G. Ruiz, A. Pandolfi, and M. Ortiz. Int.
J. Numer. Meth. Eng. 52, 2001, 97120. 
citascitr093 
"ThreeDimensional FiniteElement Simulation of
the Dynamic Brazilian Tests on Concrete cylinders," G. Ruiz, M.
Ortiz, and A. Pandolfi. Int. J. Numer. Meth. Eng. 48(7), 2000,
963994. 
citascitr092 
"Three Dimensional CohesiveElement Analysis and
Experiments of Dynamic Fracture in C300,"A. Pandolfi, P. Guduru,
M. Ortiz, and A.J. Rosakis. Int. J. Solids. Struct. 37 (27),
2000, 37333760. 
citascitr091 
"Finite Element Simulation of Ring Expansion and
Fragmentation," A. Pandolfi, P. Krysl, and M. Ortiz. 
citascitr090 
"FiniteDeformation Irreversible Cohesive Elements
for ThreeDimensional Crack Propagation Analysis," M. Ortiz, and A. Pandolfi. Int.
J. Numer. Meth. Eng 44 (9), 1999, 12671282. 
citascitr089 
"Solid Modeling Aspects of ThreeDimensional Fragmentation," A.
Pandolfi and M. Ortiz. Eng. Comput 14(4), 1998, 287308. 
citascitr080 
"The Computation of the Exponential and Logarithmic
Mappings and their First and Second Linearizations," M. Ortiz, R.A.
Radovitzky, and E.A. Repetto. 
citascitr079 
"Finiteelement modeling of dry sliding wear in
metals," J.F. Molinari, M. Ortiz, R. Radovitzky, and E.A. Repetto. Eng.
Computation 18, 2000, 592609. 
citascitr078 
"An artificial viscosity, Lagrangian finite element
method for capturing shocks in largelydeforming elasticplastic materials," A.
Lew, R. Radovitzky, and M. Ortiz. J. ComputAided. Mater. 8,
2001,213231. 
citascitr070 
"Tetrahedral Mesh Generation
Based on Node Insertion in Crystal Lattice Arrangements and AdvancingfrontDelaunay
Triangulation," R. Radovitzky and M. Ortiz. Computer Methods
in Applied Mechanics and Engineering 187, 2000, 543569. 
citascitr069 
"Finite Element Simulation of Dynamic Fracture
and Fragmentation of Glass Rods," E.A. Repetto, R. Radovitsky, and
M. Ortiz. Comput. Method Appl. M. 183, 2000, 314. 
citascitr068 
"Error Estimation and Adaptive Meshing in Strongly
Nonlinear Dynamic Problems," R. Radovitzky and M. Ortiz. Comput.
Method Appl. M. 172, 1999, 203240. 
citascitr055 
"A High Order Eulerian Godunov Method for Elastic/Plastic
Flow in Solids," G.H. Miller and P. Colella. 
citascitr041 
"ShockInduced Martensitic Phase Transitions II:
Graphite, Diamond, and Iron," O. Bruno and D. Vaynblat. 
citascitr040 
"ShockInduced Martensitic Phase Transitions I:
Critical Stresses, Twowave Structures, Riemann Problems," O. Bruno
and D. Vaynblat. 
citascitr039 
"TwoWave Structures in Shockinduced Martensitic
Phase Transitions," O. Bruno and D. Vaynblat. 
citascitr015 
"Finite Element Simulation of Ring Expansion and
Fragmentation," A. Pandolfi, P. Krysl, and M. Ortiz. Int. J.
Fracture 95, 1999, 279297. 
citascitr014 
"The Variational Formulation of Viscoplastic Constitutive
Updates," M. Ortiz and L. Stainier. Comput. Method Appl. M. 171,
1999, 419444. 
citascitr013 
"Finite Element Analysis of Nonsmooth Contact," C.
Kane, E.A. Repetto, M. Ortiz, and J.E. Marsden. Comput. Method Appl.
M. 180, 1999, 126. 
Compressible Turbulence

citascitr362 
"Largescale fluidstructure interaction simulation of
viscoplastic and facturing thin shells subjected to shocks and detonations,"
F. Cirak, R. Deiterding, and S.P. Mauch. Computers & Structures, 2007,
in press. 
citascitr351 
"A virtual test facility for simulating detonationinduced
fracture of thin flexible shells," R. Deiterding, F. Cirak, S. Mauch, and
D. Meiron. In P. Wesseling et al., European Conference on Computational
Fluid Dynamics, 2006, Delft. 
citascitr350 
"A virtual test facility for simulating detonationinduced
fracture of thin flexible shells," R. Deiterding, F. Cirak, S. Mauch, and
D. Meiron. In V.N. Alexandrov et al., editors, Proc. Int. Conc. on Comp
Science, May 2831, 2006, University of Reading, 122130, Lecture
Notes in Computer Science 3992, Springer, Berlin, 2006. 
citascitr349 
"An Adaptive Cartesian detonation solver for fluidstructure
interaction simulation on distributed memory Computers," R. Deiterding.
In A. Deane et al., editors, Parallel Comutational Fluid Dynamics  Theory
and Application, Proc. Parallel CFD 2005 Conference, 333340, Elsevier,
2006. 
citascitr348 
"Dynamically adaptive simulation of regular detonation
sturctures using the Cartesian mesh refinement framework AMROC," R. Deiterding.
Int. J. Computational Science and Engineering, Inder Science, 2006, in
press. 
citascitr343 
"Contruction and application of an AMR algorithm for
distributed memory computers," R. Deiterding. In T. Plewa et al., editors,
Adaptive Mesh Refinement  Theory and Applications, Proc. Of the Chicago
Workshop on Adaptive Mesh Refinement Methods, Septe. 35, 2003, 361372,
Lecture Notes in Computational Science and Engineering Vol. 41, Springer,
New York, 2005. 
citascitr337 
"A Class of Energy Stable, Highorder Finite Difference
interface Schemes for Adaptive Mesh Refinement of Hyperbolic Problems," R.M.J.
Kramer, C. Pantano and D.I. Pullin. Submitted to the Journal
of Computational Physics under Review. 
citascitr334 
"Structural Response of Piping to Internal Gas Detonation,"
J. Shepherd. Proceedings of PVP2006ICPVT11, 2006 ASME
Pressure Vessels and Piping Division Conference,Vancouver BC, Canada,
July 2006. 
citascitr322 
"Largeeddy simulation and multiscale
modeling of a RichtmyerMeshkov instability flow with reshock," D.J.
Hill, C. Pantano, and D.I. Pulllin. Journal of Fluid Mechanics 557,
2006, 2961. 
citascitr321 
"Regular schock refraction at
an oblique planar density inferface in magnetohydrodynamics," V.
Wheatly, D.I. Pullin, and R. Samtaney. Journal of Fluid Mechanics 522,
2005, 179214. 
citascitr320 
"Stability of an Impulsively
Accelerated Density Interface in Magnetohydrodyanamics," V. Wheatly,
D.I. Pullin, and R. Samtaney. Accepted for publication in Physical
Review Letters. 
citascitr319 
"A lownumerical dissipation
patchbased adaptive mesh refinement method for largeeddy simulation
of compressible flows," C. Pantano, R. Deiterding, D.J. Hill, and
D.I. Pullin. Journal of Computational Physics 221(1), 6387,
2007. 
citascitr317 
"Detonation simulation with the
AMROC framework," R. Deiterding. In K. Kremer and V. Macho, editors,
Forschung und wissenschaftliches Rechnen: Beiträge zum HeinzBillingPreis
2003, pages 6377, Gesellschaft für Wiss. Datenverarbeitung, Göttingen,
2004. 
citascitr316 
"Detonation structure simulation
with AMROC," R. Deiterding. In L.T. Yang, et. Al., editors High
Performance Computing and Communications, 2005, 916927, Lecture Notes
in Computer Science 3726, Springer, Berlin Heidelberg. 
citascitr315 
"Highresolution simulation of
detonations with detailed chemistry," R. Deiterding and G. Bader.
In G. Warnecke, editor, Springer, Berlin, Analysis and Numerics for Conservation
Laws, 2005, 6991. 
citascitr314 
"A highresolution method for
realistic detonation structure simulation," R. Deiterding. Proceedings
of the Tenth International Conference on Hyperbolic Problems: Theory,
Numerics, Applications, September 1317, 2004., Vol. I, 343350,
Yokohama Publishers, 2006. 
citascitr313 
"A Virtual Test Facility for
the efficient simulation of solid material response under strong shock
and detonation wave loading," R. Deiterding, R. Radovitzky, S. Mauch,
L. Noels, J.C. Cummings, and D.I. Meiron. Accepted for Publication in
Engineering and Computers 22(34), 325347, 2006. 
citascitr296 
"Impinging laminar jets at moderate
Reynolds numbers and separation distances," J. Bergthorson, K. Sone,
T. Mattner, P. Dimotakis, D. Goodwin, and D. Meiron. Accepted for publication
in Physical
Review E. 
citascitr284 
"The role of diffusion at shear
layers in irregular detonations," M. Arienti and J.E. Shepherd, The
4th Meeting of the US Sections of the Combustion Institute, Philadelphia,
PA, held March 2023, 2005. 
citascitr283 
"A numerical study of detonation
diffraction," M. Arienti and J.E. Shepherd. Submitted to Journal
of Fluid Mechanics. 
citascitr281 
"Numerical Structure Analysis of Regular HydrogenOxygen
Detonations," Ralf Deiterding. SSCI Fall 2003 Meeting, Session
03F28. 
citascitr258 
"Numerical study of the detonation wave structure
in ethyleneoxygen mixtures," A.M. Khokhlov, J.M. Austin, F. Pintgen,
and J.E. Shepherd. 42nd AIAA Aerospace Sciences Meeting and Exhibit,
January 58, 2004, Reno, NV, AIAA 20040792. 
citascitr257 
"Quantitative analysis of reaction front geometry
in detonations," F. Pintgen and J. E. Shepherd. In G.D. Roy, A.A.
Berlin, S.M. Frolov, J.E. Shepherd, and S.A. Tsyganov, editors, International
colloquium on application of detonation for propulsion 2004, 2328,
Torus Press, Moscow. 
citascitr256 
"Detonation loading of tubes in the modified shear
wave regime," T. Chao and J.E. Shepherd,In Proceedings of the
24th International Symposium on Shock Waves, Paper 1642, presented
at the 24th ISSW, Beijing, China, July 1116, 2004. 
citascitr255 
"Reaction zones in highly unstable detonations," J.M.
Austin, F. Pintgen, and J.E. Shepherd. In Proceedings of the 30th
Combustion Institute 2, 2005, 18491857. 
citascitr254 
"Shockcompressiblevortex interactions: Computing
approximate postshock fields," G.K. O'Reilly and D.I. Pullin. 
citascitr253 
"On modal time correlations of turbulent velocity
and scalar fields," P.A. O'Gorman and D.I. Pullin, Journal of
Turbulence 5, 2004, 035. 
citascitr252 
"Regular Refraction of a MHD Shock at an Oblique
Planar Density Interface," V. Wheatley, D.I. Pullin and R. Samtaney. Journal
of Fluid Mechanics 522, 2005, 179214. 
citascitr251 
"Effect of Schmidt number on the velocityscalar
cospectrum," P.A. O'Gorman and D.I. Pullin. Journal of Fluid
Mechanics 532, 2005, 111140. 
citascitr250 
"Smooth transonic flow in an
array of counterrotating vortices," G.K. O'Reilly and D.I. Pullin. Journal
of Fluid Mechanics 524, 2005, 197206. 
citascitr249 
"Direct simulation of nonpremixed flame extinction
in a methaneair jet with reduced chemistry," C. Pantano. Journal
of Fluid Mechanics, 514, 2004, 231270. 
citascitr248 
"Structure and stability of the compressible Stuart
vortex," G. O'Reilly and D.I. Pullin. Journal of Fluid Mechanics, 493,
2003, 231254. 
citascitr192 
"A Numerical and Analytical Study
of Detonation Diffraction," M. Arienti. Ph.D. Thesis, California
Institute of Technology, Pasadena, California, December 2002. 
citascitr191 
"Numerical and Analytical Studies
of the Dynamics of Gaseous Detonations," A.C. Eckett. Ph.D. Thesis,
California Institute of Technology, Pasadena, California, September 2000. 
citascitr190 
"Algorithms for Reaction Mechanism Reduction and
Numerical Simulation of Detonations Initiated by Projectiles," P.
Hung. Ph.D. Thesis, California Institute of Technology, Pasadena, California,
June 2003. 
citascitr189 
"Comparison of fracture response
of preflawed tubes under internal static and detonation loading," T.W.
Chao and J.E. Shepherd. ASME Pressure Vessels and Piping Conference,
Cleveland OH, July 2024, 2003  Published in PVP Vol. 460, 7th International
Symposium on Emerging Technologies in Fluids, Structures, and FluidStructure
Interactions2003. 
citascitr188 
"The role of unsteadiness in direct initiation
of gaseous detonations," C.A. Eckett, J.J. Quirk, and J.E. Shepherd. Journal
of Fluid Mechanics, 421, 2000, 147183. 
citascitr187 
"Direct observations of reaction zone structure
in propagating detonations," F. Pintgen, C.A. Eckett, J.M. Austin,
and J.E. Shepherd. Combustion and Flame, 133(3), 2003, 211229. 
citascitr186 
"Subgrid modeling for the filtered scalar transport
equation," A. Leonard. Trends in Mathematics 257, 1999, Birkhäuser
Verlag Basel, Switzerland. 
citascitr185 
"A TensorDiffusivity Subgrid Model For LargeEddy
Simulation," A. Leonard and G. S. Winckelmans. Proc of Isaac Newton
Inst. Symp./ERCOFTAC, Direct and LargeEddy Simulation III, 1999, 147,
Ed. P.R. Voke, N.D. Sandham and L. Kleiser, Kluwer Academic Publishers,
Dordrecht. 
citascitr183 
"Is LES ready for complex flows?," B.J. Geurts
and A. Leonard. Proceedings of the Isaac Newton Institute Symposium,
May 1214 , 2001. 
citascitr182 
"Unsplit Algorithms for Multidimensional Systems
of Hyperbolic Conservation Laws with Source Terms," M.V. Papalexandris,
A. Leonard, and P.E.Dimotakis. 2002. 
citascitr181 
"A Vortex Particle Method for TwoDimensional Compressible
Flow," J.D. Eldredge, T. Colonius, and A. Leonard. 2002. 
citascitr180 
"Quantized Turbulence Physics," D. Kivotides
and A. Leonard. 2003. 
citascitr179 
"Reconnection of Colliding Vortex Rings," P.
Chatelain, D. Kivotides, A. Leonard. Physical Review Letters 90,
2003, 054501. 
citascitr170 
"Hybrid tuned centerdifference WENO method for
largeeddy simulations in the presence of strong shocks," D.J. Hill
and D.I. Pullin. Accepted by the Journal of Computational Physics, 2003. 
citascitr169 
"A nonstiff additive semiimplicit RungeKutta
scheme for finiterate reacting flows," C. Pantano. Submitted to
the Journal of Computational Physics, 2003. 
citascitr168 
"On the dynamics of collapse of a diffusionflame
hole," C. Pantano and D.I. Pullin. Journal of Fluid Mechanics,
480, 2003, 311332. 
citascitr167 
"A statistical description of turbulent diffusion
flame holes," C. Pantano and D.I. Pullin. Submitted to Combustion
and Flame, 2003. 
citascitr165 
"Reconstruction of subgrid models for nonpremixed
combustion," J. P. Medallo, S. Sarkar and C. Pantano. Physics
of Fluids 15, 2003, 32803307. 
citascitr164 
"The velocityscalar cross spectrum
of stretched spiral vortices," P. O'Gorman and D.I. Pullin. Physics
of Fluids 15, 2003, 280191. 
citascitr163 
"Mixing of a conserved scalar in a turbulent shear
layer," C. Pantano, S. Sarkar and F. A. Williams. Journal of
Fluid Mechanics 481, 2003, 391328. 
citascitr137 
"Reduction of Detailed Chemcial Reaction Networks
for Detonation Simulations," P, Hung, and J. Shepherd. Proceedings
of 12th International Detonation Symposium, August 1116, San Diego
CA 2002. 
citascitr136 
"A Level Set Approach to EulerianLagrangian Coupling," M.
Arienti, P. Hung, E. Morano and J.E. Shepherd. Journal of Computational
Physics 185, 2003, 213251, 2003. 
citascitr135 
"Analysis of Numerical Simulations of Detonation
Diffraction," M. Arienti, J.E. Shepherd. SIAM Ninth International
Conference on Numerical Combustion, April 710, 2002, 323324, Sorrento,
Italy. 
citascitr134 
"Superseismic Loading and Shock Polars: An Example
of FluidSolid Coupling," M. Arienti and J.E.Shepherd. Proceedings
of the Conference of the American Phyisical Society Topical Group on
Shock Compression of Condensed Matter, June 2429, 2001, 251254,Atlanta. 
citascitr131 
"Subgridscale modeling for largeeddy simulations
of compressible turbulence," B. Kosovic, D.I. Pullin, R. Samtaney. Physics
of Fluids 14(4), 2002, 15111522. 
citascitr130 
"Axial motion and scalar transport
in stretched spiral vortices," D.I. Pullin and T.S. Lundgren. Physics
of Fluids 13(9), 2001 25532563. 
citascitr129 
"On Velocity Structure Functions and the Spherical
Vortex Model for Isotropic Turbulence," M.A. Aivazis and D.I. Pullin. 
citascitr075 
"A physicalspace version of the stretchedvortex
subgridstress model for large eddy simulation," T. Voelkl, D.I.
Pullin, and D. Chan. 
citascitr074 
The Filtered AdvectionDiffusion Equations: Lagrangian
Methods and Modeling, P. Moekeler. Thesis. 
citascitr073 
"Lagrangian Methods for the tensordiffusivity
Subgrid Model," P. Moeleker and A. Leonard. 
citascitr071 
"A vortexbased model for the subgrid flux of a
passive scalar," D.I. Pullin. 
citascitr067 
"The Mixing Transition in Turbulent Flows," P.E.
Dimotakis. 
citascitr065 
"Recent Advances in Turbulent Mixing," P.E.
Dimotakis. 
citascitr042 
"Deconvolution of SubgridScales for the Simulation
of ShockTurbulence Interaction," N.A. Adams and A. Leonard. 
citascitr038 
"Investigation of Mixing Effects in Incompressible
RayleighTaylor Instability," A.W. Cook and P.E. Dimotakis. 
citascitr037 
"Direct Numerical Simulation of Decaying Compressible
Turbulence and Shocklet Statistics," R. Samtaney, D.I. Pullin, and
B. Kosović. Submitted to Phys. Fluids. 
citascitr036 
Transition Stages of RayleighTaylor Instability Between
Miscible Fluids," A.W. Cook and P.E. Dimotakis. 
citascitr011 
"On the Geometry of TwoDimensional Slices of Irregular
Level Sets in Turbulent Flows," P.E. Dimotakis, H.J. Catrakis, A.W.
Cook, and J. M. Patton. 
citascitr010 
"The Impulse Approximation for the RichtmyerMeshkov
Instability in Continuously Stratified Fluids," M. Meloon and D.
Meiron. 
Material Properties

citascitr361 
"The SingleSite Vanadyl Activation, Functionalization,
and Reoxidation Reaction Mechanism for Propane Oxidative Dehydrogenation
on the Cubic V4O10 Cluster," M.J. Cheng, K. Chenoweth, J. Oxgaard, A.C.T.
van Duin, and W.A. Goddard. J. Phys. Chem. B., 2007. 
citascitr360 
"Simulations on the Effects of Confinement and
Nicatalysis on the Formation of Tubular Fullerene Structures from Peapod
Structures,"
H. Su, R. Nielsen, A.C.T. van Duin, and W.A. Goddard. Accepted for publication
in Phys. Rev.B., 2007. 
citascitr359 
"A divideandconquer/cellulardecomposition framework
for milliontobillion atom simulations of chemical reactions," A. Nakano,
R.K. Kalia, K. Nomura, A. Sharma, P. Vashista, F. Shimojo, A.C.T. van Duin,
W.A. Goddard, R. Biswas, and D. Srivastava. Computational
Materials Science 38, 642652, 2007. 
citascitr347 
"Multiparadigm multiscale simulations
for fuel cell catalysts and membranes," W. Goddard, B. Merinov, A. van
Duin, T. Jacob, M. Blanco, V. Molinero, S.S. Jang, and Y.H. Jang. Molecular
Simulation 32, 251268, 2006. 
citascitr346 
"Development of the ReaxFF Reactive Force Field for Mechanistic
Studies of Catalytic Selective Oxidation processes on BiMoOx," W.A. Goddard,
A.C.T. van Duin, K. Chenoweth, M. Cheng, S. Pudar, J. Oxgaard, B. Merinov,
Y.H. Jang, and P. Persson. Topics in Catalysis 38(13),
93103, 2006. 
citascitr345 
"Grand canonical Monte Carlo simulations
of intergranular glassy films in silicon nitride," T.S. Hudson, D. NguyenManh,
A.C.T. van Duin, and A.P. Sutton. Materials Science
and Engineering A 422, 123135, 2006. 
citascitr344 
"Dynamics of the dissociation of hydrogen
on stepped platinum surfaces using the ReaxFF reactive force field,"
J. Ludwig, D.G. Vlachos, A.C.T van Duin, and W.A. Goddard. Journal
of Physical Chemistry B 110, 42744282, 2006. 
citascitr331 
"The Computational Materials Design Facility
(CMDF): A Powerful Framework for Multiparadigm MultiScale Simulations," M.J.
Buehler, J. Dodson, P. Meulbroek, A. Duin & W. A.Goddard. Mat.
Res. Soc. Proceedings 894, 2006, LL3.8. 
citascitr330 
"Formation of Water at a Pt(111) Catalyst Surface:
A Study Using the ReaxFF Reactive Force Field," M.J. Buehler, A.
Duin, T. Jacob, B. Merinov, and W.A. Goddard. Mat. Res.
Soc. Proceedings 900E, 2006,
03.9. 
citascitr307 
"AtomisticScale Simulations
of the Initial Chemical Events in the Thermal Initiation of Triacetonetriperoxide," E.A.
Kotomin, E. Heifets, J. Maier and W.A. Goddard III. Journal of American
Chemical Society 127, 2005, 1105311062. 
citascitr306 
"Development of the ReaxFF Reactive
Force Field for Describing Transition Metal Catalyzed Reactions, with
Application to the Initial Stages of the Catalytic Formation of Carbon
Nanotubes," K.D. Nielson, A.C.T. van Duin, J. Oxgaard, W. Deng,
and W.A. Goodard III. Journal of Physical Chemistry A 109, 2005,
493499. 
citascitr305 
"Mechanical properties of connected
carbon nanorings via molecular dynamics simulation," N. Chen, M.T.
Lusk, A.C.T. van Duin, and W.A.Goddard III. Physical Review B 72,
2005, 08541610854169. 
citascitr304 
"Simulations on the Thermal Decomposition
of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field," K.
Chenoweth, S. Cheung, A.C.T. van Duin, W.A. Goddard III, and E. M. Kober. Journal
of American Chemical Society 127, 2005, 71927202. 
citascitr302 
"Multiparadigm multiscale modeling
of dynamical crack propagation in silicon using the ReaxFF reactive force
field," M.J. buehler, A.C.T. van Duin, W.A. Goddard IIII, and E.M.
Kober. Physical Review Letters 96,
095505, 2006. 
citascitr295 
"The Effect of Al on the Sharpness
of the MgSiO3 Perovskite to PostPerovskite Phase Transition," S.
AkberKnutson, G. SteinleNeumann, P.D. Asimow. Geophysical Research
Letters, In press, 2005. 
citascitr272 
"Chemisorption of Atomic Oxygen on Pt(111) from
DFT Studies of PtClusters," T. Jacob, R.P. Muller, and W.A. Goddard
III. The Journal of Physical Chemistry B 107, 2003, 94659476. 
citascitr271 
"Embedding method to simulate single atom adsorption:
Cu on Cu(100)," T. Jacob, W.A. Goddard III, J. Anton, C. SarpeTudoran,
and B. Fricke.The Euopean Physical Journal D 24, 2003, 6164. 
citascitr270 
"M3B: A coarse grain force field for molecular
simulations of maltooligosaccharides and their water mixtures," V.
Molinero, W.A. Goddard III. Journal of Physical Chemistry B 108(4),
2004, 14141427. 
citascitr269 
"The twophase model for calculating thermodynamic
properties of liquids from molecular dynamics: Validation for the phase
diagram of LennardJones fluids," S.T. Lin, M. Blanco, W.A. Goddard
III. Journal of Chemical Physics 119(22), 2003, 1179211805. 
citascitr268 
"Adhesion and nonwettingwetting transition in
the Al/αAl2O3 interface," Q. Zhang, T. Cagin, A. van Duin,
W.A. Goddard III, Y. Qi , and L.G. Hector. Physical Review B 69(4),
2004, 045423. 
citascitr267 
"Ab initio calculations of the
SrTiO3 (110) polar surface," E. Heifets, W.A. Goddard III, E.A.
Kotomin, R.I. Eglitis, and G. Borstel. Physical Review B 69(3),
2004, 035408. 
citascitr266 
"Computing approximate eigenpairs of symmetric
block tridiagonal matrices," W.N. Gansterer, R.C. Ward, R.P. Muller,
W.A. Goddard III. Siam Journal on Scientific Computing 25(1),
2003, 6585. 
citascitr265 
"Cell multipole method for molecular simulations
in bulk and confined systems," J. Zheng, R. Balasundaram, S.H. Gehrke,
G.S. Heffelfinger, W.A. Goddard III, and S.Y. Jiang. Journal of Chemical
Physics 118(12), 2003, 5347535. 
citascitr264 
"Maximum superheating and undercooling: Systematics,
molecular dynamics simulations, and dynamic experiments," S. Luo,
T.J. Ahrens, T. Cagin, A. Strachan, W.A. Goddard III, and D.C. Swift. Physical
Review B 68, 2003, 134206. 
citascitr263 
"Atomistic simulations of the LaMnO3 (110) polar
surface," E.A. Kotomin, E. Heifets, J. Maier and W.A. Goddard III. Phys.
Chem. Chem. Phys. 5, 2003, 41804184. 
citascitr262 
"Calculating the Peierls energy and Peierls stress
from atomistic simulations of screw dislocation dynamics: application
to bcc tantalum," G. Wang, A. Strachan, T. Cagin, and W.A. Goddard
III. Modelling and Simulation in Materials Science and Engineering 12(4),
2004, S371S389. 
citascitr261 
"The X3LYP extended density functional for accurate
descriptions of nonbond interactions, spin states, and thermochemical
properties," X. Xin and W. A. Goddard III. PNAS 101(9),
2004, 26732677. 
citascitr260 
"Ab initio and finitetemperature
molecular dynamics studies of lattice resistance in tantalum," D.E.
Segall, A. Strachan and W.A. Goddard III. Physical Review B 68,2003,
014104. 
citascitr226 
"Shock waves in highenergy materials: The initial
chemical events in nitramine RDX," A. Strachan, A. van Duin, D.
Chakraborti, et al. Physical Review Letters 91, 2003, 098301. 
citascitr225 
"Role of core polarization curvature of screw dislocations
in determining the Peierls stress in bcc Ta: A criterion for designing
highperformance materials," G.F. Wang, A. Strachan, T. Cagin, and
W. A. Goddard III. Physical Review B 67, 2003, 140101. 
citascitr223 
"Atomistic simulations of kinks
in 1/2α<111> screw dislocations in bcc tantalum," G.F. Wang,
A. Strachan, T. Cağin, and W.A. Goddard III. Physcial Review
B 68, 2003, 224101. 
citascitr222 
"Criteria for formation of metallic glasses: The
role of atomic size ratio," H.J. Lee, T. Çagin, W.A. Goddard,
and W.L. Johnson. Journal of Chemical Physics 118(19), 2003,
98589870. 
citascitr221 
"ReaxFFsio Reactive Force Field for Silicon and
Silicon Oxide Systems," A.C.T. van Duin, A. Strachan, S. Stewman,
Q. Zhang, X. Xu, and W.A. Goddard, III. Journal of Physcial Chemistry 107,
2003, 38033811. 
citascitr220 
"Friction anisotropy at Ni(100)/(100)
interfaces: Molecular dynamics studies," Y. Qi, Y. Cheng, T. Cağin
and W.A. Goddard III. Physical Review B 66, 2002, 085420. 
citascitr219 
"Molecular dynamics modeling of stishovite," S.
Luo, T. Cagin, A. Strachan, W.A. Goddard III, and T.J. Ahrens. Earth
and Planetary Science Letters 202, 2002, 147. 
citascitr218 
"Adhesion and nonwettingwetting
transition in the Al/ αAl2O3 interface," Q. Zhang, T. Cagin, A.
van Duin, and W.A. Goddard III. Physical Review B 69, 2004,
045423. 
citascitr216 
"Effect of reaction rate periodicity
on detonation propagation," E.O. Morano and J.E. Shepherd. In M.
D. Furnish, Y. Horie, and N. N. Thadhani, editors, Shock Compression
of Condensed Matter  2001: 12th APS Topical Conference. AIP Conference
Proceedings 620, 2002, 446449. 
citascitr215 
"Importance of magnetism in phase
stability, equations of state, and elasticity," R.E. Cohen, S. Gramsch,
G. SteinleNeumann, and L. Stixrude. In Proceedings of the International
School of Physics "Enrico Fermi", Volume CXLVII, "HighPressure
Phenomen", 2001. 
citascitr214 
"Highpressure thermoelasticity
of bodycenteredcubic tantalum," O. Gülseren and R.E. Cohen. Physical
Review B 65, 2002, 064103. 
citascitr213 
"Structure, metalinsulator transitions, and magnetic
properties of FeO at high pressures," S. A.Gramsch, R.E. Cohen,
and S.Y. Savrasov. American Mineralogist 88, 2003, 257261. 
citascitr126 
"Reversal of the elastic anisotropy of iron with
temperature at density of Earth's inner core," G. SteinleNeumann,
L. Stixrude, R. E. Cohen, and Oguz Gulseren. 
citascitr125 
"Vacancy formation enthalpy at
high pressures in Tantalum," S. Mukherjee, R.E. Cohen, and O. Gülseren. Journal
of Physics: Condensed Matter 15, 2003, 855861 . 
citascitr122 
"Abinitio Studies of Pressure Induced Phase Transitions
in BaO," M. Uludogan, T. Cagin, A Strachan, W.A. Goddard III. 
citascitr121 
"Atomistic characterization of
the screw dislocation in Tantalum," G. Wang, A. Strachan, T. Cağin,
W.A. Goddard III. 
citascitr120 
"Kinks in a/2<111> Screw Dislocation in Ta," G.
Wang, A. Strachan, T. Cagin and W.A. Goddard III. 
citascitr119 
"First Principles Force Field for Metallic Tantalum," A.
Strachan, T. Cagin, O. Gulseren, S. Mukherjee, R.E. Cohen, and W.A. Goddard
III. 
citascitr118 
"Critical Behavior in Spallation Failure of Metals," A.
Strachan, T. Cagin, and W.A. Goddard III. 
citascitr117 
"Crack propagation in a Tantalum nanoslab," A.
Strachan, T. Cagin, and W.A. Goddard III. 
citascitr116 
"Reply to "Comment on 'The Phase Diagram of
MgO from Density Functional Theory and Molecular Dynamics Simulations'"," A.
Strachan, T. Cagin, and W.A. Goddard III. 
citascitr115 
"Accurate Calculations of the Peierls Stress in
Small Periodic Cells," D.E. Segall, T. A. Arias, A. Strachan, W.
Goddard III. 
citascitr114 
"Large Scale Atomistic Simulations of Screw Dislocation
structure, Annihilation and crossslip in FCC Ni," Y. Qi, A. Strachan,
T. Cagin and W.A. Goddard III. 
citascitr113 
"Atomistic Simulation of kinks
for 1/2α<111> Screw Dislocation in Ta," G. Wang, A. Strachan,
T. Cağin, and W.A. Goddard III. 
citascitr111 
"Thermal condicutivity of diamond and related materials
from molecular dynamics simulations," J. Che, T. Cagin, W. Deng,
W. Goddard III. 
citascitr110 
"Application of Lightweight Threading Techniques
to Computational Chemistry," J. Thornley, R. Muller, D. Mainz, T.Cagin,
and W. Goddard III. 
citascitr108 
"A Detailed Model for the Decomposition of Nitramines:
RDX ad HMX," D. Chakraborty, R. Muller, S. Dasgupta, W. Goddard
III. 
citascitr107 
"The Mechanism for Unimolecular
Decomposition of RDX (1,3,5Ttrinitro1,3,5triazine), an ab Initio Study," D.
Chakraborty, R. Muller, S. Dasgupta, and W. Goddard III. Journal
of Physical Chemistry A 104, 2000, 22612272 . 
citascitr106 
"Mechanism for Unimolecular Decomposition
of HMX (1,3,5,7Tetramotro1,3,5,7tetraocine), an ab Initio Study," D.
Chakraborty, R. Muller, S. Dasgupta, and W. Goddard III. Journal
of Physical Chemistry A 105, 2001, 13021314. 
citascitr105 
"Molecular dynamics simulations to compute the
bulk response of amorphous PMMA," S.B. Sane, T. Cagin, W.A. Goddard,
W.G. Knauss. 
citascitr104 
"Molecular dynamics simulations of supercooled
liquid metals and glasses," H. Lee, Y. Qi, A. Strachan, T. Cagin,
W. Johnson, Goddard III. 
citascitr103 
"Melting and Crystallization in Ni nanoclusters:
The mesoscale regime," Y. Qi, T. Cagin, W. Johnson, Goddard III. 
citascitr060 
"FirstPrinciples Elastic Constants for the hcp
Transition Metals Fe, Co, and Re at High Pressure," G. SteinleNeumann,
L. Stixrude, and R.E. Cohen. 
citascitr059 
"Accuracy of EquationofState Formulations," R.E.
Cohen, O. Gulseren, and R.J. Hemley. 
citascitr058 
"Elasticity of Iron at High Pressure and Temperature
 Implications for the Earth's inner core," G. SteinleNeumann,
L. Stixrude, R.E. Cohen, and O. Gulseren. 
citascitr057 
"Absence of Lattice Strain Anomalies at the Electronic
Topological Transition in Zinc at High Pressure," G. SteinleNeumann,
L. Stixrude, and R.E. Cohen. 
citascitr056 
"Thermal Equation of State of bcc Tantalum to High
Pressures and Temperatures," R.E. Cohen and O. Gulseren. 
citascitr031 
"Morse Stretch Potential Charge Equilibrium Force
Field for Ceramics: Application to the QuartzStishovite Phase Transition
and to Silica Glass," E. Demiralp, T. Cagin, and W.A. Goddard III. Physical
Review Letters 82(8), 1999, 17081711. 
citascitr030 
"Strain Rate Induced Amorphisation in Metallic
Nanowires," H. Ikeda, Y. Qi, T. Cagin, K. Samwer, W.L. Johnson,
W. A. Goddard, III. 
citascitr029 
"Moleculardynamics Simulations of Glass Formation
and Crystallization in Binary Liquid Metals: CuAg and CuNim," Y.
Qi, T. Cagin, and W.A. Goddard III. 
citascitr027 
"Computational Materials Chemistry at the Nanoscale," T.
Cagin, J. Che, Y. Qi, Y. Zhou, E. Demiralp, G. Gao, and W. A. Goddard
III. 
citascitr026 
"Generalized Extended Empirical BondOrder Dependent
Force Fields Including Nonbond Interactions," J. Che, T. Cağin
and W. Goddard III. 
citascitr024 
"Calculation of Thermal, Mechanical, and Transport
Properties of Glass Formers," T. Cagin, Y. Qi, H. Li, Y. Kimura,
H. Ikeda, W.L. Johnson, and W.A. Goddard III. 
citascitr023 
"Molecular Dynamics Simulation on Commodity SharedMemory
Systems with Lightweight Multithreading," J. Thornley, M. Hui, H.
Li, T. Cagin, W.A. Goddard III. 
citascitr022 
"Molecular Dynamics Simulation of Vitreous Silica
Structures," N.T. Huff, E. Demiralp, T. Cagin, and W.A. Goddard
III. 
citascitr021 
"Studies of Fullerenes and Carbon Nanotubes by
an Extended Bond Order Potential," J. Che, T. Cagin, W.A. Goddard,
III. 
citascitr020 
"Simulation and Analysis of Experiments on Friction
and Wear of Diamond: Material for MEMS and NEMS Applications," T.
Cagin, J. Che, M.N. Gardos, A. Fijany, W.A. Goddard III. 
citascitr019 
"The Phase Diagram of MgO from
Density Functional Theory and Molecular Dynamics Simulations," A.
Strachan, T. Cağin, and W.A. Goddard III. 
citascitr018 
"Molecular Dynamics Simulation on Plastic Deformation
of Metallic Nanowires," H. Ikeda, Y. Qi, T. Cagin, K. Samwer, W.
Johnson and W. Goddard III. 
citascitr017 
"Theoretical Assessment of Phases of MgO from DFT
and MD Simulations," A. Strachan, T. Cagin, E. Demiralp, W.A. Goddard
III. 
citascitr008 
"Case Studies on Glass Formation and Crystallization:
Binary Liquid Metals, CuAg and CuNi," Y. Qi, T. Cagin, and W.A.
Goddard, III. 
citascitr003 
"The Quantum SuttonChen ManyBody Potential for
Properties of fcc Metals," Y. Kimura, T. Cagin, Y. i and W.A. Goddard
III. 
citascitr002 
"Viscosities of Liquid Metal Alloys from Nonequilibrium
Molecular Dynamics," Y. Qi, T. Cagin, Y. Kimura, W.A. Goddard III. 
Validation

citascitr340 
"The Mechanical Response of Pure Iron at High Rates Under
Dominant Shear," D. Rittel, G. Ravichandran and A. Venkert. Materials
Science and Engineering A., 2006, A432, 191201. 
citascitr338 
"Planar Schock Cylindrical
Focusing by a Perfectgas Lens," P.E. Dimotakis and R. Samtaney. Physics
of Fluids 18, 0317051. 
citascitr336 
"Strain Rate Effect on the Evolution
of Deformation Texture for FE,"
A. Battachryya, D. Rittle, and G. Ravichandran. Metallurigical and Materials
Transactions A, April 2006, 37A, 11371145. 
citascitr300 
"Fracture response of externally
flawed aluminum cylindrical shells under internal gaseous detonation
loading," T.W. Chao and J.E. Shepherd. International Journal
of Fracture 134(1), 2005, 5990. 
citascitr299 
"Experiments and modeling of
Impinging laminar jets at moderate separation distances," J. Bergthorson,
K. Sone, T. Mattner, P. Dimotakis. GALCITFM 2005.003. 
citascitr298 
"Experiments and Modeling of
Impinging Jets and Premixed Hydrocarbon stagnation Flames," J.M.
bergthorson. Caltech, Ph.D.Thesis, 2005. 
citascitr290 
"Experimental Validation of Dynamic Fragmentation Simulations," V.B.
Chalivendra, S. Hong, A.J. Rosakis, J. Knap, and M. Ortiz. SEM Annual
Conference & Exposition Symposium , Portland, OR, June 79,
2005. 
citascitr280 
"Dynamic Photoelastic Validation of Large Scale
Fracture and Fragmentation Simulations," V.B. Chalivendra, A.J.
Rosakis, I. Arias, and M. Ortiz. SEM International Congress & Esposition
on Experimental & Applied Mechanics, Costa Mesa, June 710,
2004 
citascitr279 
"Validation of massively parallel simulations of
dynamic fracture and fragmentation of brittle solids," I. Arias,
J. Knap, V. Chalivendra, S. Hong, M. Ortiz and A.J. Rosakis. 
citascitr278 
"Interaction of dynamic cracks with inclined interfaces," V.
Chalivendra, S. Hong, A.J. Rosakis, I. Arias, J. Knap and M. Ortiz. International
Conference on Fracture, Turin, Italy, March 2025, 2005. 
citascitr277 
"Particle streak velocimetry and CH laserinduced
fluorescence diagnostics in strained, premixed, methaneair flames," J.
M. Bergthorson, D. G. Goodwin, and P. E. Dimotakis. Proceedings
of the 30th International Combustion Symposium, 2004. 
citascitr276 
"Turbulent Mixing," P.E.
Dimotakis. Annual Review of Fluid Mechanics 37, 2005, 329356. 
citascitr275 
"Large Strain Mechanical Behavior of 1018 ColdRolled
Steel over a Wide Range of Strain Rates," M. Vural, D. Rittel, and
G. Ravichandran, Metallurgical and Materials Transactions, 34A(12),
2003, 28732885. 
citascitr274 
"Highstrainrate behavior of αiron
under shear dominant loading conditions," D. Rittel and G. Ravichandran. 15th
Technical Meeting DYMAT, Metz 12, June 2004. 
citascitr273 
"Effect of strain rate on deformation texture in
OFHC Copper," A. Bhattacharyya, D. Rittel, and G. Ravichandran. 
citascitr259 
"Gaseous DetonationDriven Fracture of Tubes," T.W.
Chao. Ph.D. Thesis, California Institute of Technology, Pasadena, California,
March 2004. 
citascitr208 
"Fundamental Structure of Steady Plastic Shock
Waves in Metals," A. Molinari and G. Ravichandran. Journal of
Applied Physics 95(4), 2004, 17181732. 
citascitr066 
"Flow Structure and Optical Beam Propagation in
High Reynolds Number, GasPhase Shear Layers and Jets," P.E. Dimotakis,
H.J. Catrakis, and D.C. Fourguette. 


