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and John R. Kitchin — most-cited papers & profile · Graph Learning
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and John R. Kitchin
4
papers ·
6
citations
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Beyond Force Metrics: Pre-Training MLFFs for Stable MD Simulations
2025
Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances
2024
Top co-authors
Adeesh Kolluru
· 1
Amir Barati Farimani
· 1
Janghoon Ock
· 1
Janice Lan
· 1
Joseph Musielewicz
· 1
Matt Uyttendaele
· 1
Shagun Maheshwari
· 1
Zhengxian Tang
· 1
Topics
cs.LG
physics.chem-ph
cond-mat.mtrl-sci