Apurba Nandi

32PUBLICATIONS
27CO-AUTHORS
Theoretical quantum chemistrySurface water hydrologyLasers and quantum electronicsElectrochemical energy storage and conversionSemi- and unsupervised learning
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Publications (32)

|Jun 04, 2026
VPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned Potential.

|Apr 07, 2026
Computational spectroscopy using MULTIMODE and machine-learned potentials.

Chen Qu, Thomas C Allison, Paul L Houston

|Apr 03, 2026
Tests Demonstrate the Accuracy of the Qim-Reaction Path Hamiltonian for Double-Well Tunneling Splittings for H-Atom Transfer.

Chen Qu, Apurba Nandi, Paul L Houston

|Jan 07, 2026
New Permutationally Invariant Polynomial Potential Energy Surfaces for H5O2+ with Fast Analytical Gradients Calculated Using Reverse Differentiation.

Saikiran Kotaru, Chen Qu, Paul L Houston

|Nov 20, 2025
"Gold-Standard" Δ-Machine Learned Transferable Potential for Linear Alkanes.

Chen Qu, Apurba Nandi, Paul L Houston

|May 13, 2025
A perspective marking 20 years of using permutationally invariant polynomials for molecular potentials.

Joel M Bowman, Chen Qu, Riccardo Conte

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Frequent Collaborators

31 joint publications

Joel M Bowman

28 joint publications

Paul L Houston

23 joint publications

Riccardo Conte

17 joint publications

Qi Yu