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Digital Scientific (United Kingdom)

United Kingdom

4 papers here952 citations across 4
fields
  • cond-mat.stat-mech1
  • cs.IR1
  • math.ST1
  • physics.chem-ph1
ROR 01b4ex890OpenAlex

affiliations via OpenAlex

output
20132021
most citedCombining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

876 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

  • Bingqing Cheng2 · h 24
  • Adrien Guille1 · h 10
  • Antoine Gourru1 · h 8
  • A. Reinhardt1 · h 22
  • A. Tkatchenko1 · h 82
  • D. Ginsbourger1 · h 34
  • John A. Keith1 · h 36
  • Julien Velcin1 · h 13
  • Klaus-Robert Müller1 · h 6
  • M. Gastegger1 · h 27
  • N. Durrande1 · h 19
  • Olivier Roustant1 · h 22
collaborating institutions
  • Brain (Germany)DE1 paper
  • Department for EducationGB1 paper
  • Entrepôts, Représentation et Ingénierie des ConnaissancesFR1 paper
  • Korea UniversityKR1 paper
  • Max Planck Institute for InformaticsDE1 paper
  • Mines Saint-ÉtienneFR1 paper
  • Technische Universität BerlinDE1 paper
  • Thomson FoundationGB1 paper
  • University of CambridgeGB1 paper
  • University of LuxembourgLU1 paper
  • University of PittsburghUS1 paper
Showing physics.chem-phShow all

1 paper · 1 filter

physics.chem-ph2021★ 876 cited

Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

John A. Keith, Valentin Vassilev-Galindo, Bingqing Cheng +4

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from…

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