Pavlo O. Dral
Max-Planck-Institut für Kohlenforschung
32 papers found
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Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations
Download from doi.orgBig Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach
Download from www.researchgate.netQuantum chemistry structures and properties of 134 kilo molecules
Download from www.nature.comSemiempirical UNO–CAS and UNO–CI: method and applications in nanoelectronics
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