Introduction to algorithms for molecular simulations

Kramář, Martin. "Introduction to algorithms for molecular simulations." Programs and Algorithms of Numerical Mathematics. Prague: Institute of Mathematics AS CR, 2010. 119-124. <http://eudml.org/doc/271302>.

@inProceedings{Kramář2010,
abstract = {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.},
author = {Kramář, Martin},
booktitle = {Programs and Algorithms of Numerical Mathematics},
keywords = {molecular dynamics; Schrödinger equation},
location = {Prague},
pages = {119-124},
publisher = {Institute of Mathematics AS CR},
title = {Introduction to algorithms for molecular simulations},
url = {http://eudml.org/doc/271302},
year = {2010},
}

TY - CLSWK
AU - Kramář, Martin
TI - Introduction to algorithms for molecular simulations
T2 - Programs and Algorithms of Numerical Mathematics
PY - 2010
CY - Prague
PB - Institute of Mathematics AS CR
SP - 119
EP - 124
AB - 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.
KW - molecular dynamics; Schrödinger equation
UR - http://eudml.org/doc/271302
ER -