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Electronic-structure properties from atom-centered predictions of the
  electron density

Electronic-structure properties from atom-centered predictions of the electron density

28 June 2022
Andrea Grisafi
Alan M Lewis
M. Rossi
Michele Ceriotti
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Papers citing "Electronic-structure properties from atom-centered predictions of the electron density"

2 / 2 papers shown
Title
ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals
ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals
Jonas Elsborg
Luca Thiede
Alán Aspuru-Guzik
Tejs Vegge
Arghya Bhowmik
47
0
0
11 Mar 2025
Deep neural network solution of the electronic Schrödinger equation
Deep neural network solution of the electronic Schrödinger equation
J. Hermann
Zeno Schätzle
Frank Noé
152
448
0
16 Sep 2019
1