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Title: Introduction to algorithms for molecular simulations (English)
Author: Kramář, Martin
Language: English
Journal: Programs and Algorithms of Numerical Mathematics
Volume: Proceedings of Seminar. Dolní Maxov, June 6-11, 2010
Issue: 2010
Pages: 119-124
Category: math
Summary: In the first part of the paper we survey some algorithms which describe time evolution of interacting particles in a bounded domain. Applications to macroscale as well as microscale are presented on two examples: motion of planets and collision of two bodies. In the second part of the paper we present solution to stationary Schr\"{o}dinger equation for simple molecular models. (English)
Keyword: molecular dynamics
Keyword: Schrödinger equation
MSC: 35Q41
MSC: 70F99
Date available: 2015-07-08T06:52:24Z
Last updated: 2015-07-08
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