KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Leetmaa, Mikael, Skorodumova, Natalia V. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2014
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/kvtxb5txb3 |
| ctrlnum |
0.17632-kvtxb5txb3.1 |
|---|---|
| fullrecord |
<?xml version="1.0"?>
<dc><creator>CPC, Mendeley</creator><title>KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations </title><publisher>Mendeley</publisher><description>This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
KMCLib is a general framework for lattice kinetic Monte Carlo (KMC) simulations. The program can handle simulations of the diffusion and reaction of millions of particles in one, two, or three dimensions, and is designed to be easily extended and customized by the user to allow for the development of complex custom KMC models for specific systems without having to modify the core functionality of the program. Analysis modules and on-the-fly elementary step diffusion rate calculations can be i...
Title of program: KMCLib
Catalogue Id: AESZ_v1_0
Nature of problem
Atomic scale simulation of slowly evolving dynamics is a great challenge in many areas of computational materials science and catalysis. When the rare-events dynamics of interest is orders of magnitude slower than the typical atomic vibrational frequencies a straight-forward propagation of the equations of motions for the particles in the simulation can not reach time scales of relevance for modeling the slow dynamics.
Versions of this program held in the CPC repository in Mendeley Data
AESZ_v1_0; KMCLib; 10.1016/j.cpc.2014.04.017
AESZ_v1_1; KMCLib v1.1; 10.1016/j.cpc.2015.06.016
</description><subject>Physical Chemistry</subject><subject>Molecular Physics</subject><subject>Computational Physics</subject><subject>Computational Method</subject><contributor>Leetmaa, Mikael</contributor><contributor>Skorodumova, Natalia V.</contributor><type>Other:Dataset</type><identifier>10.17632/kvtxb5txb3.1</identifier><rights>GNU Public License Version 3</rights><rights>http://www.gnu.org/licenses/gpl-3.0.en.html</rights><relation>https:/data.mendeley.com/datasets/kvtxb5txb3</relation><date>2014-01-01T12:00:00Z</date><recordID>0.17632-kvtxb5txb3.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
CPC, Mendeley |
| author2 |
Leetmaa, Mikael Skorodumova, Natalia V. |
| title |
KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations |
| publisher |
Mendeley |
| publishDate |
2014 |
| topic |
Physical Chemistry Molecular Physics Computational Physics Computational Method |
| url |
https:/data.mendeley.com/datasets/kvtxb5txb3 |
| contents |
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
KMCLib is a general framework for lattice kinetic Monte Carlo (KMC) simulations. The program can handle simulations of the diffusion and reaction of millions of particles in one, two, or three dimensions, and is designed to be easily extended and customized by the user to allow for the development of complex custom KMC models for specific systems without having to modify the core functionality of the program. Analysis modules and on-the-fly elementary step diffusion rate calculations can be i...
Title of program: KMCLib
Catalogue Id: AESZ_v1_0
Nature of problem
Atomic scale simulation of slowly evolving dynamics is a great challenge in many areas of computational materials science and catalysis. When the rare-events dynamics of interest is orders of magnitude slower than the typical atomic vibrational frequencies a straight-forward propagation of the equations of motions for the particles in the simulation can not reach time scales of relevance for modeling the slow dynamics.
Versions of this program held in the CPC repository in Mendeley Data
AESZ_v1_0; KMCLib; 10.1016/j.cpc.2014.04.017
AESZ_v1_1; KMCLib v1.1; 10.1016/j.cpc.2015.06.016
|
| id |
IOS7969.0.17632-kvtxb5txb3.1 |
| institution |
Universitas Islam Indragiri |
| affiliation |
onesearch.perpusnas.go.id |
| institution_id |
804 |
| institution_type |
library:university library |
| library |
Teknologi Pangan UNISI |
| library_id |
2816 |
| collection |
Artikel mulono |
| repository_id |
7969 |
| city |
INDRAGIRI HILIR |
| province |
RIAU |
| shared_to_ipusnas_str |
1 |
| repoId |
IOS7969 |
| first_indexed |
2020-04-08T08:24:18Z |
| last_indexed |
2020-04-08T08:24:18Z |
| recordtype |
dc |
| _version_ |
1686587574136602624 |
| score |
17.538404 |