Vikram Gavini

15PUBLICATIONS
46CO-AUTHORS
Solid state chemistryTheoretical quantum chemistryStatistical mechanics in chemistryFormal methods for softwareComputational chemistry
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Publications (15)

|Sep 25, 2026
Alkali Ions Retained from Synthesis Govern Microstructure and Transport in Solution-Processed SnSe.

|Feb 13, 2026
Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes.

Niraj Pangeni, Chandra Shahi, John P Perdew

|Sep 19, 2025
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies.

Bikash Kanungo, Jeffrey Hatch, Paul M Zimmerman

|Feb 14, 2025
Accelerating inverse Kohn-Sham calculations using reduced density matrices.

Bikash Kanungo, Soumi Tribedi, Paul M Zimmerman

|Jul 11, 2024
MiMiC: A high-performance framework for multiscale molecular dynamics simulations.

Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė

|Jun 28, 2024
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?

Aaron D Kaplan, Chandra Shahi, Raj K Sah

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Frequent Collaborators

6 joint publications

Paul M Zimmerman

4 joint publications

Bikash Kanungo

3 joint publications

John P Perdew

2 joint publications

Sambit Das