Molecular dynamics with constraints
From MaRDI portal
Publication:1158806
DOI10.1016/0021-9991(81)90127-3zbMath0473.76015MaRDI QIDQ1158806
Publication date: 1981
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/0021-9991(81)90127-3
reliability; conservation laws; efficiency; accuracy; H2O microsystem; molecular dynamics with constraints
65C20: Probabilistic models, generic numerical methods in probability and statistics
76A99: Foundations, constitutive equations, rheology, hydrodynamical models of non-fluid phenomena