45 citations · 83 across the 4 of their papers we have counts for
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physics.chem-ph2022
Machine Learning 1- and 2-electron reduced density matrices of polymeric molecules
David Pekker, Chungwen Liang, Sankha Pattanayak +1
Encoding the electronic structure of molecules using 2-electron reduced density matrices (2RDMs) as opposed to many-body wave functions has been a decades-long quest as the 2RDM co…
physics.chem-ph2017★ 45 cited
Solvent Fluctuations and Nuclear Quantum Effects Modulate the Molecular Hyperpolarizability of Water
Chungwen Liang, Gabriele Tocci, David Wilkins +3
Second-Harmonic Scatteringh (SHS) experiments provide a unique approach to probe non-centrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells…