New integrator for molecular dynamics simulations

DOI10.1016/S0010-4655(02)00387-9zbMath1001.82009OpenAlexW2079865973MaRDI QIDQ696749

Z. M. Khakimov

Publication date: 12 September 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(02)00387-9

zbMATH Keywords

molecular dynamicsintegration algorithmtight-binding model

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22)

Cites Work

• The automatic integration of ordinary differential equations
• Unnamed Item

This page was built for publication: New integrator for molecular dynamics simulations