Simple exact test for well-known molecular dynamics algorithms (Q1101178)

These are the days of work with computers and modelling. Simulation through molecular dynamics is at the present time a very widely used approach for studying problems in condensed matter physics. Its essence lies in solving equations of motion for sufficiently large number of the basic building blocks of nature under interaction leading to models of matter in largely varied situations. In the research under review the authors have attempted i) to gather in one place the most commonly used algorithms in traditional molecular dynamics and ii) to suggest simple criterion to compare their performance. Questions of higher order methods and behaviour of the solutions in time are also on a shared-memory multiprocessor computer, along with some numerical experiments demonstrating their performance on a Sequent Balance 8000 system.