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Sotiris S. Xantheas — most-cited papers & profile · AI for Science
← authors
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overview
Sotiris S. Xantheas
3
papers ·
6
citations ·
68
h-index
Battelle · Pacific Northwest National Laboratory · University of Washington · Computational Physics (United States)
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Most-cited papers
Orbital optimization of large active spaces via AI-accelerators
2025 · 6 citations
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
2025
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data
2020
Top co-authors
Sutanay Choudhury
· 2
\'Ad\'am Ganyecz
· 1
and Frank Neese
· 1
Andor Menczer
· 1
Ben Blaiszik
· 1
Chris Mundy
· 1
Darren Hsu
· 1
Dejun Lin
· 1
Emine Kucukbenli
· 1
Franco Pellegrini
· 1
Gábor Cśanyi
· 1
Han-Yi Chou
· 1
Topics
Chemistry
Materials
Drug Discovery