Abstract
SAND2024-02099O
The software is designed to allow researchers to perform kinetic Monte Carlo (KMC) simulations of catalytic reactions on a 2D lattice. The code is written efficiently to run on a variety of shared memory computing architectures (e.g. GPU, multi-core) and to natively express the full complexity of lateral interactions on reaction rates. The software allows researchers to perform KMC simulations of catalytic reactions on a 2D lattice. It uses parallel shared-memory computing architectures to reduce run-times and allows for simultaneous simulation of multiple independent runs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.
- Developers:
-
Najm, Habib [1][2][3] ; Kim, Kyungjoo [1][2][3] ; Roberts, Nathan [1][2][3] ; Daniels, Craig [1][2][3]
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
- Release Date:
- 2023-03-08
- Project Type:
- Open Source, Publicly Available Repository
- Software Type:
- Scientific
- Programming Languages:
-
Python
C++
- Version:
- 1.0
- Licenses:
-
GNU General Public License v3.0
- Sponsoring Org.:
-
USDOEPrimary Award/Contract Number:NA0003525
- Code ID:
- 124380
- Site Accession Number:
- SCR #2889.0
- Research Org.:
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- Country of Origin:
- United States
Citation Formats
Najm, Habib, Kim, Kyungjoo, Roberts, Nathan, and Daniels, Craig.
KinCat v.1.0.
Computer Software.
https://github.com/sandialabs/KinCat.
USDOE.
08 Mar. 2023.
Web.
doi:10.11578/dc.20240315.1.
Najm, Habib, Kim, Kyungjoo, Roberts, Nathan, & Daniels, Craig.
(2023, March 08).
KinCat v.1.0.
[Computer software].
https://github.com/sandialabs/KinCat.
https://doi.org/10.11578/dc.20240315.1.
Najm, Habib, Kim, Kyungjoo, Roberts, Nathan, and Daniels, Craig.
"KinCat v.1.0." Computer software.
March 08, 2023.
https://github.com/sandialabs/KinCat.
https://doi.org/10.11578/dc.20240315.1.
@misc{
doecode_124380,
title = {KinCat v.1.0},
author = {Najm, Habib and Kim, Kyungjoo and Roberts, Nathan and Daniels, Craig},
abstractNote = {SAND2024-02099O
The software is designed to allow researchers to perform kinetic Monte Carlo (KMC) simulations of catalytic reactions on a 2D lattice. The code is written efficiently to run on a variety of shared memory computing architectures (e.g. GPU, multi-core) and to natively express the full complexity of lateral interactions on reaction rates. The software allows researchers to perform KMC simulations of catalytic reactions on a 2D lattice. It uses parallel shared-memory computing architectures to reduce run-times and allows for simultaneous simulation of multiple independent runs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.},
doi = {10.11578/dc.20240315.1},
url = {https://doi.org/10.11578/dc.20240315.1},
howpublished = {[Computer Software] \url{https://doi.org/10.11578/dc.20240315.1}},
year = {2023},
month = {mar}
}