Concepedia

Pavan Kumar Behara

PK

Statistics

Publications

13

Citations

637

H-Index

12

Active since

2013

Affiliations

University of California, Irvine(Current)

Open Molecular Software Foundation

Newcastle University

Open Geospatial Consortium

Memorial Sloan Kettering Cancer Center

Pavan Kumar Behara is an author at University of California, Irvine specializing in natural sciences, computational chemistry, and force fields.

ORCID

Publications per year

2013–2024

13

Publications

13

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

Simon Boothroyd, Pavan Kumar Behara, Owen Madin et al. · Journal of Chemical Theory and Computation · 2023 · 189 citations · Full text

, , +17

SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

Peter Eastman, Pavan Kumar Behara, David Dotson et al. · Scientific Data · 2023 · 168 citations · Full text

, , +16

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner et al. · Journal of Chemical Information and Modeling · 2022 · 61 citations · Full text

, , +17

Review on alumina trihydrate precipitation mechanisms and effect of Bayer impurities on hydrate particle growth rate

Rohit Sonthalia, Pavan Kumar Behara, T. Kumaresan et al. · International Journal of Mineral Processing · 2013 · 42 citations

, , +15

Machine-learned molecular mechanics force fields from large-scale quantum chemical data

Kenichiro Takaba, Anika J. Friedman, Chapin E. Cavender et al. · Chemical Science · 2024 · 38 citations · Full text

, , +16

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