45 citations · 83 across the 4 of their papers we have counts for
4 papers
Polyformer: a generative framework for thermodynamic modeling of polymeric molecules
Alessio Valentini, David Pekker, Chungwen Liang +2
The classic paradigm of structural biology is that the sequence of a biomolecule (protein, nucleic acid, lipid, etc) determines its conformation (shape) which determines its biolog…
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…
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…
Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids
Gabriele Tocci, Chungwen Liang, David M. Wilkins +2
Second-harmonic scattering experiments of water and other bulk molecular liquids have long been assumed to be insensitive to interactions between the molecules. The measured intens…