Atharva S Kelkar

3PUBLICATIONS
7CO-AUTHORS
Computational chemistryColloid and surface chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (3)

|Sep 09, 2025
Operator forces for coarse-grained molecular dynamics.

Leon Klein, Atharva Kelkar, Aleksander Durumeric

|Feb 09, 2023
Structural features of interfacial water predict the hydrophobicity of chemically heterogeneous surfaces.

Bradley C Dallin, Atharva S Kelkar, Reid C Van Lehn

|Sep 23, 2020
Predicting Hydrophobicity by Learning Spatiotemporal Features of Interfacial Water Structure: Combining Molecular Dynamics Simulations with Convolutional Neural Networks.

Atharva S Kelkar, Bradley C Dallin, Reid C Van Lehn

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Frequent Collaborators

2 joint publications

Bradley C Dallin

2 joint publications

Reid C Van Lehn

1 joint publications

Leon Klein

1 joint publications

Aleksander Durumeric