Apurba Nandi

activity

20202026

most cited

Δ

-Machine Learning for Potential Energy Surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) Level of Theory

160 citations · 631 across the 18 of their papers we have counts for

collaborators

Showing 2025Show all

2 papers · 1 filter

physics.chem-ph2025

"Gold-Standard" $Δ$ -Machine Learned and Transferable Potential for Linear Alkanes

Chen Qu, Thomas C. Allison, Apurba Nandi +4

The conformational properties of linear alkanes, C $_{n}$ H $_{2 n + 2}$ , have been of intense interest for many years. Experiments and corresponding electronic structure calculations were…

physics.chem-ph2025★ 6 cited

The quantum nature of ubiquitous vibrational features revealed for ethylene glycol

Apurba Nandi, Riccardo Conte, Priyanka Pandey +4

Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is…

"Gold-Standard" Δ-Machine Learned and Transferable Potential for Linear Alkanes

The quantum nature of ubiquitous vibrational features revealed for ethylene glycol

"Gold-Standard" $Δ$ -Machine Learned and Transferable Potential for Linear Alkanes