Development of a Charge-Implicit ReaxFF for C/H/O Systems
Author:
Affiliation:
1. Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewicza 11, 30-348 Kraków, Poland
2. Department of Mechanical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States
Funder
Narodowe Centrum Nauki
NSF CDS&E
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c03867
Reference21 articles.
1. ReaxFF: A Reactive Force Field for Hydrocarbons
2. Development of a Charge-Implicit ReaxFF Potential for Hydrocarbon Systems
3. A reactive potential for hydrocarbons with intermolecular interactions
4. Enhancing Ion Yields in Time-of-Flight-Secondary Ion Mass Spectrometry: A Comparative Study of Argon and Water Cluster Primary Beams
5. Fast Parallel Algorithms for Short-Range Molecular Dynamics
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