61 citations · 216 across the 10 of their papers we have counts for
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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…
cond-mat.mes-hall2023
Simulations of Disordered Matter in 3D with the Morphological Autoregressive Protocol (MAP) and Convolutional Neural Networks
Ata Madanchi, Michael Kilgour, Frederik Zysk +2
Disordered molecular systems such as amorphous catalysts, organic thin films, electrolyte solutions, and water are at the cutting edge of computational exploration today. Tradition…