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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 2026Show all

2 papers · 1 filter

physics.chem-ph2026

Hunting for quantum advantage in electronic structure calculations is a highly non-trivial task

Örs Legeza, Andor Menczer, Miklós Antal Werner +7

In light of major developments over the past decades in both quantum computing and simulations on classical hardware, it is a serious challenge to identify a real-world problem whe…

cond-mat.mtrl-sci2026★ 1 cited

Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy

Benjamin X. Shi, Kristina M. Herman, Flaviano Della Pia +5

Molecules can form myriad crystalline polymorphs, each with distinct properties affecting their performance across diverse applications, from pharmaceuticals to functional material…

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