Order-N tight-binding molecular dynamics on parallel computers
- 1 August 1995
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 88 (2-3) , 173-185
- https://doi.org/10.1016/0010-4655(95)00031-a
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Linear system-size scaling methods for electronic-structure calculationsPhysical Review B, 1995
- Electronic-structure calculations and molecular-dynamics simulations with linear system-size scalingPhysical Review B, 1994
- Unconstrained minimization approach for electronic computations that scales linearly with system sizePhysical Review B, 1993
- Orbital formulation for electronic-structure calculations with linear system-size scalingPhysical Review B, 1993
- Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradientsReviews of Modern Physics, 1992
- Large-scale ab initio total energy calculations on parallel computersComputer Physics Communications, 1992
- Multicomputer Molecular Dynamics Simulation using Distributed Neighbour ListsMolecular Simulation, 1991
- Ab initiomulticenter tight-binding model for molecular-dynamics simulations and other applications in covalent systemsPhysical Review B, 1989
- New empirical model for the structural properties of siliconPhysical Review Letters, 1986
- Computer simulation of local order in condensed phases of siliconPhysical Review B, 1985