Concepedia

Apurba Nandi

AN

Statistics

Publications

26

Citations

924

H-Index

19

Active since

2016

Affiliations

Emory University(Current)

Atlanta University Center

Emerson (United States)

Cornell University

Georgia Institute of Technology

Apurba Nandi is an author at Emory University specializing in natural sciences, chemistry, and computational chemistry.

ORCID

Publications per year

2016–2025

26

Publications

26

q-AQUA: A Many-Body CCSD(T) Water Potential, Including Four-Body Interactions, Demonstrates the Quantum Nature of Water from Clusters to the Liquid Phase

Qi Yu, Chen Qu, Paul L. Houston et al. · The Journal of Physical Chemistry Letters · 2022 · 119 citations · Full text

, , +17

Breaking the Coupled Cluster Barrier for Machine-Learned Potentials of Large Molecules: The Case of 15-Atom Acetylacetone

Chen Qu, Paul L. Houston, Riccardo Conte et al. · The Journal of Physical Chemistry Letters · 2021 · 89 citations · Full text

, , +17

A Machine Learning Approach for Prediction of Rate Constants

Paul L. Houston, Apurba Nandi, Joel M. Bowman · The Journal of Physical Chemistry Letters · 2019 · 71 citations

, , +15

Using Gradients in Permutationally Invariant Polynomial Potential Fitting: A Demonstration for CH<sub>4</sub> Using as Few as 100 Configurations

Apurba Nandi, Chen Qu, Joel M. Bowman · Journal of Chemical Theory and Computation · 2019 · 66 citations

, , +17

Permutationally invariant polynomial regression for energies and gradients, using reverse differentiation, achieves orders of magnitude speed-up with high precision compared to other machine learning methods

Paul L. Houston, Chen Qu, Apurba Nandi et al. · The Journal of Chemical Physics · 2022 · 52 citations · Full text

, , +17

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