AN
APURBA NANDI
University of Luxembourg, Emory University, Indian Institute of Technology Kanpur
0000-0002-6191-5584
Employment
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University of Luxembourg Post Doctoral Research Associate2022 - Present
Education
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Emory University Ph.D2017 - 2022
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Indian Institute of Technology Kanpur M.Sc.
Projects & Funding
Projects & funding information is unavailable.
Publications (69)
- Tests Demonstrate the Accuracy of the Qim-Reaction Path Hamiltonian for Double-Well Tunneling Splittings for H-Atom Transfer Save
- Computational spectroscopy using MULTIMODE and machine-learned potentials Save
- New Permutationally Invariant Polynomial Potential Energy Surfaces for H5O2+ with Fast Analytical Gradients Calculated Using Reverse Differentiation Save
- VPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned Potential Save
- Stable isotope equilibria in the dihydrogen-water-methane-ethane-propane system. Part 1: Path-integral calculations with CCSD(T) quality potentials Save
- “Gold-Standard” ∆-Machine Learned and Transferable Potential for Linear Alkanes Save
- “Gold-Standard” Δ-Machine Learned Transferable Potential for Linear Alkanes Save
- The quantum nature of ubiquitous vibrational features revealed for ethylene glycol Save
- The IR spectrum of liquid water in the OH(D)-stretch region and beyond using q-AQUA-pol and the quantum local monomer theory Save
- Revisiting the H5O2+ IR Spectrum with VSCF/VCI and the Influence of Mark Johnson's Experiments in Advancing the Theory of Protonated Water Clusters Save