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Hiroya Nakata
ORCID
Publication Activity (10 Years)
Years Active: 2018-2019
Publications (10 Years): 2
Top Topics
Force Field
Optimization Scheme
Preprocessing
Prior Knowledge
Top Venues
J. Comput. Chem.
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Publications
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Hiroya Nakata
,
Shandan Bai
Development of a new parameter optimization scheme for a reactive force field based on a machine learning approach.
J. Comput. Chem.
40 (23) (2019)
Hiroya Nakata
,
Dmitri G. Fedorov
Analytic second derivatives for the efficient electrostatic embedding in the fragment molecular orbital method.
J. Comput. Chem.
39 (25) (2018)