2002 NSF Division of Materials Research ITR Computational Workshop

June 19-20, 2002, Materials Computation Center, UIUC

Computational Materials Theory Program Overview

Note: The files below are in PDF format.



Multiscale Simulation in Materials Behavior Sam Trickey, Florida KDI
Simulation and Modeling of Non-Crystalline Semiconductors Paulette Clancy, Cornell KDI
Theoretical Solid State Physics Marvin Cohen, UC-Berkeley MT
High performance Algorithms for Electronic Materials Jim Chelikowsky, Minnesota DMR
Electronic Structure of Condensed Matter Richard Martin, UIUC DMR
Large Scale Quantum Mechanical MD Simulations Chakram Jayanthi,Louisville ITR
Quantum Cluster Theory Mark Jarrell, Cincinnati ITR
Non-equilibrium surface growth and the scalability of parallel discrete-event simulations for large asynchronous systems Gyorgy Korniss, RPI ITR
Novel Scalable Simulation Techniques Roberto Car, Princeto ITR
Coherence and Correlation in Electronic Nanostructures Harold Baranger, Duke NIRT

Modeling and Simulation of Quantum Phenomena in Semiconductor Structures of Reduced Dimensions

M.-Y. Chou, Georgia Tech ITR
Computational Tools for Multicomponent Materials Design Long-Qing Chen, Penn State ITR
Large-Scale Dislocation Dynamics Simulations Lizhi Sun, Iowa ITR
Screening in Strongly Correlated Electron Systems Bernd Schuttler, Georgia ITR

Multiscale Simulation of Atomistic Processes in Nanostructured Materials

Rajiv Kalia, LSU FRG
Billion Atom Multiscale Simulations on a Grid Priya Vashishta, LSU ITR
Multiscale Models for Microstructure Simulation and Process Design Bob Haber, UIUC ITR
Multiscale Simulation of POSS Materials Peter Cummings, Tennessee NIRT
Multiscale Modeling of Defects in Solids Jim Sethna, Cornell KDI

Computational Studies of Dynamical Phenomena in Nanoscale Ferromagnets

Mark Novotny, Mississippi State DMR
Evolution and Self-Assembly of Quantum Dots Peter Voorhees, NWU NIRT
Multiscale Biomolecular Simulations Celeste Sagui, NCSU ITR
Explorations and Control of Condensed Matter Qubits Whaley, UCB ITR
Center for Modeling of Quantum Dynamics, Relaxation and Decoherence in Solid State Physics Vladimir Privman, Clarkson ITR
Foundations of Solid State Quantum Information Processing Paul Kwiat, UIUC ITR