Quantum deep field: data-driven wave function, electron density generation, and atomization energy prediction and extrapolation with machine learning

16 November 2020

Papers citing "Quantum deep field: data-driven wave function, electron density generation, and atomization energy prediction and extrapolation with machine learning"

3 / 3 papers shown

Title
Equivariant graph neural networks for fast electron density estimation of molecules, liquids, and solids Peter Bjørn Jørgensen Arghya Bhowmik 16 36 0 01 Dec 2021
Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery Aditya Nandy Chenru Duan Heather J. Kulik AI4CE 22 44 0 02 Nov 2021
Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions Nicholas Gao Stephan Günnemann 21 36 0 11 Oct 2021