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Pavlo O. Dral, Ph.D.

Affiliations: 
2004-2010 Kiev Polytechnic Institute 
 2008-2013 University of Erlangen-Nuremberg, Erlangen, Germany, Erlangen, Bayern, Germany 
 2013-2019 Max Planck Institute for Coal Research, Mülheim an der Ruhr, Nordrhein-Westfalen, Germany 
 2019- Department of Chemistry Xiamen University, P.R.C 
Area:
computational chemistry, machine learning
Website:
http://dr-dral.com
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"Pavlo Dral"
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Parents

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Andrey A. Fokin grad student 2008-2010 Kiev Polytechnic Institute
Timothy Clark grad student 2013 University of Erlangen-Nuremberg, Erlangen, Germany
Walter Thiel post-doc 2013-2019 Max-Planck-Institut für Kohlenforschung

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Publications

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Xue BX, Barbatti M, Dral PO. (2020) Machine Learning for Absorption Cross Sections. The Journal of Physical Chemistry. A. 124: 7199-7210
Dral PO, Owens A, Dral A, et al. (2020) Hierarchical machine learning of potential energy surfaces. The Journal of Chemical Physics. 152: 204110
Kivala M, Krug M, Wagner M, et al. (2020) The Impact of Aggregation on the Photophysics of Spiro-bridged Heterotriangulenes. Angewandte Chemie (International Ed. in English)
Kivala M, Schaub TA, Mekelburg T, et al. (2020) A Spherically Shielded Triphenylamine and Its Persistent Radical Cation. Chemistry (Weinheim An Der Bergstrasse, Germany)
Margraf JT, Dral PO. (2019) What is semiempirical molecular orbital theory approximating? Journal of Molecular Modeling. 25: 119
Dral PO, Wu X, Thiel W. (2019) Semiempirical Quantum-Chemical Methods with Orthogonalization and Dispersion Corrections. Journal of Chemical Theory and Computation
Wu X, Dral PO, Koslowski A, et al. (2018) Big data analysis of ab Initio molecular integrals in the neglect of diatomic differential overlap approximation. Journal of Computational Chemistry
Chen WK, Liu XY, Fang W, et al. (2018) Deep Learning for Nonadiabatic Excited-State Dynamics. The Journal of Physical Chemistry Letters
Dral PO, Barbatti M, Thiel W. (2018) Nonadiabatic Excited-State Dynamics with Machine Learning. The Journal of Physical Chemistry Letters. 5660-5663
Fritsch N, Wick CR, Waidmann T, et al. (2018) 1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes European Journal of Inorganic Chemistry. 2018: 54-61
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