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A deep neural network for molecular wave functions in quasi-atomic minimal basis representation.
Gastegger, M; McSloy, A; Luya, M; Schütt, K T; Maurer, R J.
Affiliation
  • Gastegger M; Machine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.
  • McSloy A; Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, United Kingdom.
  • Luya M; Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, United Kingdom.
  • Schütt KT; Machine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.
  • Maurer RJ; Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, United Kingdom.
J Chem Phys ; 153(4): 044123, 2020 Jul 28.
Article in En | MEDLINE | ID: mdl-32752663
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication: