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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.
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 -