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John R. Kitchin — most-cited papers & profile · AI for Science
← authors
·
overview
John R. Kitchin
6
papers ·
90
citations ·
45
h-index
Carnegie Mellon University
Google Scholar ↗
Semantic Scholar ↗
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Most-cited papers
UMA: A Family of Universal Models for Atoms
2025 · 47 citations
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction
2023 · 22 citations
Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
2024 · 19 citations
Uncertainty Quantification in Graph Neural Networks with Shallow Ensembles
2025 · 2 citations
Prospects for Using Artificial Intelligence to Understand Intrinsic Kinetics of Heterogeneous Catalytic Reactions
2025
A Simultaneous Approach for Training Neural Differential-Algebraic Systems of Equations
2025
Top co-authors
C. Lawrence Zitnick
· 3
Zachary W. Ulissi
· 3
Brandon M. Wood
· 2
Muhammed Shuaibi
· 2
Vahe Gharakhanyan
· 2
Aaike van Vugt
· 1
Abhishek Das
· 1
Adeesh Kolluru
· 1
Ammar Rizvi
· 1
Anagha Usha Vijayakumar
· 1
Andrew J. Medford
· 1
Anuroop Sriram
· 1
Topics
Materials
Chemistry
Drug Discovery
Physics ML
Math & Equations
Climate & Weather