Pavan Kumar Behara

5PUBLICATIONS
25CO-AUTHORS
Computational chemistryMathematical aspects of general relativityTheoretical quantum chemistryOrganic chemical synthesis
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|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

Pageof 1

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