Curriculum Vitae

Pavlo Dral CV 2016

Name: Pavlo O. Dral
Date/place of birth: 20 February 1987, Moscow
Address: Max-Planck-Institut für Kohlenforschung
Kaiser-Wilhelm-Platz 1
45470 Mülheim an der Ruhr

Telephone: +49 208 306 2137

Postdoctoral Work Experience

11/2013 – present Postdoc with Prof. Dr. Walter Thiel, Max-Planck-Institut für Kohlenforschung


2010–2013 Doctor rerum naturalium (Dr. rer. nat. in chemistry),
Computer-Chemie-Centrum, University of Erlangen-Nürnberg
Dissertation: Theoretical Study of Electronic Properties of Carbon Allotropes
Supervisor: Prof. Dr. Timothy Clark
2008–2010 Magister (Mag.) in chemical technology and engineering (major in chemical technology of organic compounds) with distinction,
National Technical University of Ukraine “Kiev Polytechnic Institute”
Thesis: Comparative DFT and Ab Initio Study of Nitrogen-Containing Electrophiles
Supervisor: Prof. Dr. Andrey A. Fokin
2008–2010 Master of Science (M. Sc.) in molecular science (major in nanoscience) with distinction, Computer-Chemie-Centrum, University of Erlangen-Nürnberg
Thesis: Hydrogen Chemisorption on Neutral and Electron-Doped Graphenic Surfaces: A Theoretical Investigation
Supervisor: Prof. Dr. Timothy Clark
2004–2008 Bachelor in chemical technology and engineering with distinction,
National Technical University of Ukraine “Kiev Polytechnic Institute”
Thesis: Production of 1,2-dibromocyclohexane with productivity of 270 t/year
Supervisor: I. A. Levandovskii
2002–2004 Kiev department of Correspondence Physical-Technical School of Moscow Institute of Physics and Technology (with distinction)
1993–2004 Dunaivtsi school, Ukraine (with distinction)


  • Application of machine learning to physicochemical problems
  • Ab initio, DFT and semi-empirical calculations of:
    • the electronic properties of different molecular and nanosystems
    • energetics and mechanisms of chemical reactions
    • systems interesting for nanoelectronics, energy conversion (in organic photovoltaic devices) and storage
  • Development, serial and parallel implementation of quantum chemical methods:
    • writing codes using Fortran, MPI and OpenMP
    • cross-platform development (on Linux and on Windows with and without Visual Studio)
  • High performance computing (HPC)
  • Time- and project-management
  • Team work and extensive collaborations
  • Good communication and presentation skills

Skills and Qualifications

Chemistry-related software Gaussian, Turbomole, CFOUR, ORCA, ADF, NEWTON-X, MNDO2005, VAMP, Empire, MOPAC, Chem3D, ChemDraw, Materials Studio, Chemcraft
Operating systems Linux, Windows
Programming skills Fortran, MPI, OpenMP, scripting (Python and shell), Visual Studio, Visual Basic, Pascal
Other computer-related skills LaTeX, MS Word, MS Excel, MS PowerPoint, EndNote, SciFinder, Origin, MatLab, MathCad, AutoCad
Languages Ukrainian, Russian (native)
English, German (fluent)

Courses and Workshops

02/2012–03/2012 Winter School of the Graduate School Molecular Science (GSMS), Kirchberg/Tirol
12/2012 Workshop “Wie gluckt wissenschaftliche Arbeit und ihre professionelle Kommunikation in der Praxis”, Universität Beyern, Munich
09/2012–10/2012 Course 20: Ph.D.-level course “Bridging Length and Time Scales in Simulations”, Ferien-Akademie, Sarntal/Sudtirol
02/2012 Winter School of the Graduate School Molecular Science (GSMS), Kirchberg/Tirol
01/2012 Workshop “Poster Design” of the graduate school “Advanced Materials and Processes”, Erlangen
12/2011 Workshop “Info Graphics Design” of the graduate school “Advanced Materials and Processes”, Erlangen
03/2011 Winter School of the Graduate School Molecular Science (GSMS), Kirchberg/Tirol
01/2011 HLRS Kompaktkurs “Fortran for Scientific Computing”, University of Stuttgart, Stuttgart

Memberships and Scholarships

2012–2013 Member of the American Chemical Society
2010–2013 Member of the Graduate School Molecular Science (GSMS)
2011–2013 Stipend within the Bavarian Elite Aid Program
2007–2008 The Kiev Mayor Scholarship
2004–2005 Ukrainian Presidential Scholarship

Awards and Honors

2013 Poster prize of the Arbeitsgemeinschaft Theoretische Chemie for the poster presentation “A Possible Synthesis and the Unusual Electronic Properties of Endofullerene NH4+@C60 and Its Reduced Forms”, the 49th Symposium on Theoretical Chemistry “Bridging Scales in Theoretical Chemistry”, Erlangen, Germany
2011 Third lecture award for the talk “Modeling Molecular Electronic Properties with Semiempirical UNO–CAS”, the 25th Molecular Modelling Workshop, Erlangen, Germany
2011 Graduate School Molecular Science, Winter School Discussion Prize, Kirchberg in Tirol, Austria
2008 Third place in the competition of reports, the 1st International (3rd All-Ukrainian) Theoretical and Practical Conference of Students, Postgraduates and Young Scientists in Chemistry and Chemical Technology, Kiev, Ukraine
2005 First place of the All-Ukrainian Students Chemistry Olympiad, Kiev, Ukraine
2004 Gold medal winner of the 36th International Chemistry Olympiad, Kiel, Germany
2003 Gold medal winner of the 37th International Mendeleev School Chemistry Olympiad Moscow, Russia

Scientific Service

Served as a reviewer for the following journals:
Nature Communications
Journal of Chemical Theory and Computation
Scientific Data
Journal of Chemical Information and Modeling
Journal of Computational Chemistry
RSC Advances
International Journal of Quantum Chemistry
Journal of Physical Chemistry A
Journal of Molecular Modeling
Journal of Chemistry