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Molecular Sciences Software Institute

United States

29 papers here1.1k citations across 29
fields
  • physics.chem-ph11
  • physics.comp-ph9
  • cond-mat.mtrl-sci3
  • q-bio.BM2
  • quant-ph2
  • cs.SE1
  • physics.atom-ph1
ROR 03x8p5f11OpenAlex

affiliations via OpenAlex

output
20182025
most citedBest Practices for Alchemical Free Energy Calculations

289 citations

researchers with a paper here
  • S. Lehtola13 · h 30
  • J. Moussa7 · h 19
  • V. Blum2 profiles4 · h 49
  • Victor Wen-zhe Yu4 · h 12
  • D. Sundholm3 · h 50
  • M. Marques3 · h 54
  • Alberto García2 profiles2 · h 4
  • Heike Fliegl2 · h 29
  • K. Trepte2 · h 14
  • Levi N. Naden2 · h 7
  • M. Dimitrova2 · h 10
  • P. Saxe2 · h 16
collaborating institutions
  • University of HelsinkiFI9 papers
  • Virginia TechUS8 papers
  • Duke UniversityUS4 papers
  • Institut de Ciència de Materials de BarcelonaES3 papers
  • Lawrence Berkeley National LaboratoryUS3 papers
  • University of California, BerkeleyUS3 papers
  • University of CambridgeGB3 papers
  • Barcelona Supercomputing CenterES2 papers
  • European Bioinformatics InstituteGB2 papers
  • Forschungszentrum JülichDE2 papers
  • Martin Luther University Halle-WittenbergDE2 papers
  • Oak Ridge National LaboratoryUS2 papers
Showing physics.atom-phShow all

1 paper · 1 filter

physics.atom-ph2023★ 32 cited

Atomic electronic structure calculations with Hermite interpolating polynomials

Susi Lehtola

We have recently described the implementation of atomic electronic structure calculations within the finite element method with numerical radial basis functions of the form $χ_μ(r)…

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