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Sagarmoy Mandal
ORCID
Publication Activity (10 Years)
Years Active: 2020-2022
Publications (10 Years): 2
Top Topics
Molecular Dynamics
Chemical Reactions
Posterior Distribution
Free Energy
Top Venues
J. Comput. Chem.
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Publications
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Sagarmoy Mandal
,
Ritama Kar
,
Tobias Klöffel
,
Bernd Meyer
,
Nisanth N. Nair
Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals.
J. Comput. Chem.
43 (9) (2022)
Sagarmoy Mandal
,
Nisanth N. Nair
Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane waves.
J. Comput. Chem.
41 (19) (2020)