A Novel Scheme for Accurate Md Simulations of Large Systems
- 1 January 1997
- journal article
- Published by Springer Nature in MRS Proceedings
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Linear-scaling semiempirical quantum calculations for macromoleculesThe Journal of Chemical Physics, 1996
- Hydrogen diffusion in crystalline silicon: A tight-binding molecular dynamics studyPhase Transitions, 1994
- Hydrogen Diffusion in Silicon from Tight-Binding Molecular DynamicsPhysical Review Letters, 1994
- Interatomic Potentials from First-Principles Calculations: The Force-Matching MethodEurophysics Letters, 1994
- Direct calculation of electron density in density-functional theoryPhysical Review Letters, 1991
- Molecular dynamics algorithm for multiple time scales: Systems with disparate massesThe Journal of Chemical Physics, 1991
- Molecular dynamics algorithm for condensed systems with multiple time scalesThe Journal of Chemical Physics, 1990
- Dynamical branching during fluorination of the dimerized Si(100) surface: A molecular dynamics studyThe Journal of Chemical Physics, 1990
- Generating Transferable Tight-Binding Parameters: Application to SiliconEurophysics Letters, 1989
- A simple empirical N-body potential for transition metalsPhilosophical Magazine A, 1984