Local Temporal Acceleration Scheme to Couple Transport and Reaction Dynamics in Kinetic Monte Carlo Models of Electrochemical Systems-Reference-Cited by-同舟云学术

Local Temporal Acceleration Scheme to Couple Transport and Reaction Dynamics in Kinetic Monte Carlo Models of Electrochemical Systems

Published:2022-04-15 Issue:5 Volume:18 Page:2749-2763
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gößwein Manuel¹,Kaiser Waldemar¹²^ORCID,Gagliardi Alessio¹^ORCID

Affiliation:

1. Department of Electrical and Computer Engineering, Technical University of Munich, Karlstraße 45, 80333 Munich, Germany

2. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), 06123 Perugia, Italy

Funder

Deutsche Forschungsgemeinschaft

European Commission

Bundesministerium f??r Bildung und Forschung; Bayerisches Staatsministerium f??r Wissenschaft und Kunst

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01010

Reference53 articles.

1. Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution

2. Kinetic Monte Carlo study of crystal growth from solution

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4. Scaling Relations and Kinetic Monte Carlo Simulations To Bridge the Materials Gap in Heterogeneous Catalysis

5. MonteCoffee: A programmable kinetic Monte Carlo framework

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