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20212024
most citedSingle-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

94 citations · 182 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2023

Representations of Materials for Machine Learning

James Damewood, Jessica Karaguesian, Jaclyn R. Lunger +4

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composi…

cond-mat.mtrl-sci2021★ 2 cited

Graph theory-based structural analysis on density anomaly of silica glass

Aik Rui Tan, Shingo Urata, Masatsugu Yamada +1

Analyzing the atomic structure of glassy materials is a tremendous challenge both experimentally and computationally, and the lack of direct, detailed insights into glass structure…