| 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 |
| Year:
|
|
| 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:
|
2023-06-05 |
| Stable URL:
|
http://hdl.handle.net/10338.dmlcz/702749 |
| . |
