729 citations · 1.3k across the 19 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cond-mat.mtrl-sci2023★ 48 cited
Geometric Deep Learning for Molecular Crystal Structure Prediction
Michael Kilgour, Jutta Rogal, Mark Tuckerman
We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on…
physics.chem-ph2023★ 1 cited
Machine Learning Electronic Structure Methods Based On The One-Electron Reduced Density Matrix
Xuecheng Shao, Lukas Paetow, Mark E. Tuckerman +1
The theorems of density functional theory (DFT) and reduced density matrix functional theory (RDMFT) establish a bijective map between the external potential of a many-body system…