Concepedia

Sagarmoy Mandal

SM

Statistics

Publications

7

Citations

213

H-Index

7

Active since

2017

Affiliations

Indian Institute of Technology Kanpur(Current)

Purdue University West Lafayette

Friedrich-Alexander-Universität Erlangen-Nürnberg

Sagarmoy Mandal is an author at Indian Institute of Technology Kanpur specializing in chemistry, natural sciences, and physics.

ORCID

Publications per year

2017–2024

7

Publications

7

Soft-Sphere Continuum Solvation in Electronic-Structure Calculations

Giuseppe Fisicaro, Luigi Genovese, Oliviero Andreussi et al. · Journal of Chemical Theory and Computation · 2017 · 96 citations

, , +17

Dimensionality Engineering of Lead Organic Chalcogenide Semiconductors

Hanjun Yang, Sagarmoy Mandal, Yoon Ho Lee et al. · Journal of the American Chemical Society · 2023 · 30 citations

, , +17

Enhanced sampling and free energy calculations with hybrid functionals and plane waves for chemical reactions

Sagarmoy Mandal, Jayashrita Debnath, Bernd Meyer et al. · The Journal of Chemical Physics · 2018 · 28 citations

, , +17

Achieving an Order of Magnitude Speedup in Hybrid-Functional- and Plane-Wave-Based <i>Ab Initio</i> Molecular Dynamics: Applications to Proton-Transfer Reactions in Enzymes and in Solution

Sagarmoy Mandal, Vaishali Thakkur, Nisanth N. Nair · Journal of Chemical Theory and Computation · 2021 · 18 citations

, , +15

Efficient computation of free energy surfaces of chemical reactions using <i>ab initio</i> molecular dynamics with hybrid functionals and plane waves

Sagarmoy Mandal, Nisanth N. Nair · Journal of Computational Chemistry · 2020 · 15 citations

, , +17

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