SQERT-T: alleviating kinetic Monte Carlo (KMC)-stiffness in transient KMC simulations
Author:
Funder
Oak Ridge National Laboratory
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Link
http://iopscience.iop.org/article/10.1088/1361-648X/aacb6d/pdf
Reference55 articles.
1. Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers
2. Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)
3. Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis
4. Efficient Monte Carlo methods for the simulation of catalytic surface reactions
5. Below-Room-Temperature C–H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO2(111)
Cited by 9 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Comparative simulations of methanol steam reforming on PdZn alloy using kinetic Monte Carlo and mean-field microkinetic model;The Journal of Chemical Physics;2024-07-09
2. Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges;The Journal of Chemical Physics;2022-03-28
3. Discrete stochastic model of point defect-dislocation interaction for simulating dislocation climb;International Journal of Plasticity;2021-01
4. Ethanol Conversion over La0.7Sr0.3MnO3–x(100): Autocatalysis, Adjacent O-Vacancies, Disproportionation, and Dehydrogenation;ACS Catalysis;2020-10-21
5. CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory**;ChemCatChem;2020-10
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3