Simple exact test for well-known molecular dynamics algorithms
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.
- Ordinary differential equations of molecular dynamics
- Common molecular dynamics algorithms revisited: Accuracy and optimal time steps of Störmer-Leapfrog integrators
- On the mathematical justification of experimental and computer physics
- Efficiency of classical molecular dynamics algorithms on supercomputing hardware
- Introduction to algorithms for molecular simulations.
- Analysis of Serial and Parallel Algorithms for Use in Molecular Dynamics.
- scientific article; zbMATH DE number 2100391 (Why is no real title available?)
- scientific article; zbMATH DE number 5262919 (Why is no real title available?)
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