Curriculum Vitae
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 Germany |
Telephone: | +49 208 306 2137 |
E-mail: | dral@kofo.mpg.de |
Website: | dr-dral.com |
Postdoctoral Work Experience
11/2013 – present | Postdoc with Prof. Dr. Walter Thiel, Max-Planck-Institut für Kohlenforschung |
Education
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) |
Expertise
- 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
- Plasma Sources Science and Technology
- 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