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Pavan Kumar Behara

5PUBLICATIONS

25CO-AUTHORS

Computational chemistryMathematical aspects of general relativityTheoretical quantum chemistryOrganic chemical synthesis

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Publications (5)

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|Apr 21, 2026

Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model.

|Aug 16, 2024

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

Kenichiro Takaba, Anika J Friedman, Chapin E Cavender

|Aug 01, 2024

Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields.

Pavan Kumar Behara, Hyesu Jang, Joshua T Horton

|Nov 28, 2023

A transferable double exponential potential for condensed phase simulations of small molecules.

Joshua T Horton, Simon Boothroyd, Pavan Kumar Behara

|May 11, 2023

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

Simon Boothroyd, Pavan Kumar Behara, Owen C Madin

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Frequent Collaborators

4 joint publications

David L Mobley

3 joint publications

John D Chodera

3 joint publications

Michael R Shirts

2 joint publications

Lee-Ping Wang

2 joint publications

Chapin E Cavender

2 joint publications

Simon Boothroyd

1 joint publications

Owen C Madin

1 joint publications

David F Hahn

1 joint publications

Vytautas Gapsys

1 joint publications

Matthew W Thompson

Frequent Collaborators

4 joint publications

David L Mobley

3 joint publications

John D Chodera

3 joint publications

Michael R Shirts

2 joint publications

Lee-Ping Wang

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