Scheduling Many-Body Short Range MD Simulations on a Cluster of Workstations and Custom VLSI Hardware Sumanth J.V, David R. Swanson and Hong Jiang University of Nebraska-Lincoln…

Hybrid Particle Simulations: An approach to the spatial multiscale problem Guang Lin, PNNL Thanks: George Em Karniadakis, Brown University Igor Pivkin Vasileios Symeonidis…

Optimization of Numerical Atomic Orbitals Eduardo Anglada Siesta foundation-UAM-Nanotec [email protected] [email protected] Atomic Orbitals Very efficient but…

Simulation of Self-Assembly of Ampiphiles Using Molecular Dynamics Reza Banki, Misty Davies, Haneesh Kesari Final Project Presentation ME346 Stanford University Overview…

2011 LLNL Template Interior and Exterior Contributions to Transfer Cross Sections DREB12, Pisa Ian Thompson, LLNL Akram Mukhamedzhanov, Texas A&M Jutta Escher, LLNL TORUS…

DURINT Review MOLECULAR DYNAMICS STUDIES OF NANOPARTICLES OF ENERGETIC MATERIALS Donald L. Thompson Department of Chemistry University of Missouri-Columbia Processing and…

Difficulty: how to deal accurately with both the core and valence electrons Javier Junquera Exercises on basis set generation Control of the range: the energy shift Most…