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researcher

S. Xantheas

12 papers hereh-index 6012.5k citations294 works total

Matching runs newest-first, so older work may not be attached to this profile yet.

author position
  • middle author11
  • last author1

Across the 12 of 12 papers where every author was matched, so the position is known.

fields
  • physics.chem-ph7
  • cond-mat.mtrl-sci2
  • cs.LG2
  • cs.DC1

identity via Semantic Scholar / OpenAlex

activity
20202026
most citedThe Effect of Geometry, Spin and Orbital Optimization in Achieving Accurate, Fully-Correlated Results for Iron-Sulfur Cubanes

23 citations · 43 across the 12 of their papers we have counts for

collaborators
Showing cs.DCShow all

1 paper · 1 filter

cs.DC2025

Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE

Jesun Firoz, Franco Pellegrini, Mario Geiger +17

Chemistry Foundation Models (CFMs) that leverage Graph Neural Networks (GNNs) operating on 3D molecular graph structures are becoming indispensable tools for computational chemists…

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Not affiliated with arXiv. Researcher data from Semantic Scholar (ODC-BY) and OpenAlex.