Reactive Molecular Dynamics is a computational simulation method within the field of atomistic modeling that enables the dynamic breaking and formation of chemical bonds during molecular interactions by employing physics-based reactive force fields derived from quantum mechanical principles.
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772
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2017–2026
527
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Reaxmd
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Publications
882
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
Hasan Metin Aktulga, Joseph Fogarty, Sagar Pandit et al. · Parallel Computing · 2011 · 1.1K citations
Natural Sciences, Chemistry, Physics +10
1–5 of 882
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19
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17
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772
Pennsylvania State University
State College, United States
56 h-index
263 publications
40.2K citations
California Institute of Technology
Pasadena, United States
33 h-index
150 publications
22.8K citations
University of Southern California
Los Angeles, United States
22 h-index
129 publications
6.4K citations
University of Antwerp
Antwerp, Belgium
22 h-index
81 publications
5K citations
Beijing Institute of Technology
Beijing, China
21 h-index
112 publications
4.2K citations
University of Chicago
Chicago, United States
20 h-index
86 publications
4.7K citations
Chinese Academy of Sciences
Beijing, China
19 h-index
60 publications
2.3K citations
University of California, Los Angeles
Los Angeles, United States
19 h-index
71 publications
14.2K citations
1–8 of 772
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- The Journal of Physical Chemistry C
87 publications · 4.2K citations
37
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- The Journal of Physical Chemistry A
46 publications · 3.2K citations
27
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- Physical Chemistry Chemical Physics
PCCP · 47 publications · 2.1K citations
26
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- The Journal of Chemical Physics
44 publications · 7K citations
25
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- The Journal of Physical Chemistry B
28 publications · 1.3K citations
20
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