25 citations · 52 across the 4 of their papers we have counts for
Showing 2022 · physics.chem-phShow all
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physics.chem-ph2022★ 11 cited
Generalized Many-Body Dispersion Correction through Random-phase Approximation for Chemically Accurate Density Functional Theory
Pier Paolo Poier, Louis Lagardère, Jean-Philip Piquemal
We extend our recently proposed Deep Learning-aided many-body dispersion (DNN-MBD) model to quadrupole polarizability (Q) terms using a generalized Random Phase Approximation (RPA)…
physics.chem-ph2022★ 25 cited
Accurate Deep Learning-aided Density-free Strategy for Many-Body Dispersion-corrected Density Functional Theory
Pier Paolo Poier, Théo Jaffrelot Inizan, Olivier Adjoua +2
Using a Deep Neuronal Network model (DNN) trained on the large ANI-1 data set of small organic molecules, we propose a transferable density-free many-body dispersion model (DNN-MBD…