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Leonid Komissarov
Leonid Komissarov
Ghent University
Parametrization
Python (programming language)
Potential energy surface
ReaxFF
modular structure
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ParAMS: Parameter Optimization for Atomistic and Molecular Simulations.
2021
Journal of Chemical Information and Modeling
Leonid Komissarov
Robert Rüger
Matti Hellström
Toon Verstraelen
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