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20212026
most citedVariational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional

15 citations · 22 across the 5 of their papers we have counts for

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Showing 2021 · physics.chem-phShow all

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physics.chem-ph2021★ 2 cited

Neural Network Potential Energy Surface for the low temperature Ring Polymer Molecular Dynamics of the H2CO + OH reaction

Pablo del Mazo-Sevillano, Alfredo Aguado, Octavio Roncero

A new potential energy surface (PES) and dynamical study are presented of the reactive process between H2CO + OH towards the formation of HCO + H2O and HCOOH + H. In this work a so…