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 Schrödinger equation for simple molecular models.
@article{702749,
title = {Introduction to algorithms for molecular simulations},
booktitle = {Programs and Algorithms of Numerical Mathematics},
series = {GDML\_Books},
publisher = {Institute of Mathematics AS CR},
address = {Prague},
year = {2010},
pages = {119-124},
url = {http://dml.mathdoc.fr/item/702749}
}
Kramář, Martin. Introduction to algorithms for molecular simulations, dans Programs and Algorithms of Numerical Mathematics, GDML_Books, (2010), pp. 119-124. http://gdmltest.u-ga.fr/item/702749/