Curriculum VitaeDr. Volodymyr P. Sergiievskyi• Full-stack programmer • Theoretical physical chemist •

Universitat Duisburg-EssenUniversitatsstraße 545117 Essen

volodymyr.sergiievskyi@uni-due.de(+49) 17 666 80 90 17http://www.sergiievskyi.com

� ProfileI am a full-stack programmer, with a wide range of skills and experiences: Scientific pro-

gramming in C++, Java, Python, Matlab, GUI interfaces with Qt, C#, Tcl, SQL Databases,Frontend/Backend web-programming. My main scientific activities are development of 3D-RISMand Classical DFT methods. I have a deep theoretical knowledges in Statistical Mechanics, Quan-tum Mechanics, and good practical knowledges in simulations.

With my more than 6 year experience in scientific programming I mastered the skills of self-time management, quality testing and “getting things done”. Despite of large experience I amalways eager to learn new subjects and improve my skills as much as possible.

� Software ProjectsApril 2009 - October 2016 - RISM-MOL-Tools

Software package for fast and accurate solvation free energy calcu-lations and prediction properties of ligands in solution.

• Fast multi-grid implementation allows to calculate the struc-tural and energetical properties of solvents in a seconds withaccuracy of 1 kcal/mol which is near the experimental ones.

• Graphical interface allows to visualize the most probable sol-vent positions around the solute.

• Intuitive interface and flexible code implementationDownload link: www.sergiievskyi.com/RISM-MOL-Tools

April 2013 - October 2016 - MolDBPython-based database and workflow system for automation ofchemical calculations.

• HASH-based storage of heterogeneous multidimensional datacubes.

• Easy setup of calculations.

• Resolving of dependency chains

• Support of post-processing analysis tool interface.Download link: www.sergiievskyi.com/MolDB

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January 2013 - Now - Render3DPackage for rendering of 3D scenes of arbitrary complexity.

• Multiple light sources

• Simple input text format

• Scripts for rendering molecules in water environment.Download link: www.sergiievskyi.com/render3D

� Employment historyApr 2015 - Oct 2016: - Universitat Duisburg Essen

Project: Empirical Valence Bond method with Neural NetworksPosition: postdocRole: code developer, mathematical model developerChef/Supervisor: Prof. Dr. Eckhard SpohrTechnologies: C++, stl, MPI, LAPACK, python, Matlab, R

The Main task of the project is to implement a new force-field based on the neural-networks,into the LAMMPS molecular dynamics code ( http://lammps.sandia.gov/ ). This will allow toperform the MD simulations on the quantum level at the cost of force-field based simulations anduse the power of the massively-parallel LAMMPS molecular dynamics software.

Apr 2014 - Apr 2015 - CEA SaclayProject: Solvent-ion bridge functions in electrolytesPosition: postdocRole: principal code developer, scientific researcherChef/Supervisor: Prof. Luc BelloniTechnologies: fortran90, module-oriented programming, Matlab,python, bash

The main task of the project was extraction of the multidimesional particle correlation functionswhich can be used in the Classical Density Functional Theory. The project included Monte-Carlocode development and using for data-processing. Link: https://github.com/voovrat/YAMC

Apr 2013 - Apr 2014 - Ecole Normale Superieure, ParisProject: Solvation free energy calculations with Molecular DensityFunctional Theory of LiquidsPosition: postdocRole: principal code developer, scientific researcherChef/Supervisor: Prof. Daniel BorgisTechnologies: C++, stl, multi-grid, fftw, LAPACK, Matlab,python, bash

The goal of the project was to test Classical Density Functional and 3DRISM for calculationof the calculation of the solvation free energies of various molecules. The project also resulted inthe sound development of the Classical DFT theory. The technical side of the project includeddevelopment of the molecular database and workflow-system for molecular calculations, which wasimplemented in python.

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June 2012 - Feb 2013 - Univesity of Strathclyde, GlasgowProject: Fast and accurate computational methods for the IntegralEquation Theory of LiquidsPosition: PhD studentRole: principal code developer, researcherChef/Supervisor: Prof. Maxim FedorovTechnologies: C++, stl, matlab, python, bash

After 3 year in Max Planck Institute for Mathematics in the Sciences, Leipzig I moved withmy supervisor supervisor Prof. Maxim Fedorov to University of Strathclyde in Glasgow to finishmy project and get a PhD degree.

April 2009 - June 2012 - Max Planck Institute for Mathematics inthe Sciences, Leipzig

Project: Fast and accurate computational methods for the IntegralEquation Theory of LiquidsPosition: PhD studentRole: principal code developer, researcherChef/Supervisor: Prof. Maxim FedorovTechnologies: C++, stl, matlab, python, bash

The goal of the project was development and testing of the 3DRISM which uses the multi-grid technology for fast solvation free energy calculations. The project was finished in Glasgow inUniversity of Strathclyde.

2008-2009 - Institute of Super Compression Technologies, Inc.Project: image processing, lossless and lossy compression codecs,temporal video interpolation.Position: Researcher / Software DeveloperRole: principal code developer, group leaderChef/Supervisor: Dr. Volodymyr MorozTechnologies: C/C++, MFC, wavelets, jpeg-codecs, Matlab

During my work in ISCT I participated in several projects in the area of image/video processing.The most prominent and the longest was the temporal video interpolation project, where we wasworking on increasing the framerate from 15 fps to 30 fps using motion recognition techniques. Iworked in a team of 3 people and was a team leader of that group.

Link: www.supercompression.com/e/

2004-2007 - CS OdessaProject: Concept Draw, ConceptDraw WebWavePosition: Software DeveloperRole: Development of cross-platform (windows-macOS) codeChef/Supervisor: Gregory ZhukovTechnologies: Technologies: C++, Objective-C, Java, MFC,pthread multi-threading

ConceptDraw is a cross-platform application for Computer Aided Design.See more at www.conceptdraw.com

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� EducationFebruary 2013 - University of Strathclyde, Glasgow

Physical departmentPhD degreeThesis title: Modelling of Solvation Thermodynamics by Usinga Combination of Reference Interaction Site Model Theory andMulti-grid Numerical Methods

April 2009 - June 2012 - Max Planck Institute for Mathematics in theSciences, Leipzig

PhD program. Development of fast and efficient computationalmethods for Integral Equation Theory of Liquids

September 2006 - June 2008 - Odessa National UniversityDepartment of Applied MathematicsMaster of ScienceMSc program in Applied Mathematics and computer science. Grad-uated with Honors.

September 2006 - June 2008 - Odessa National UniversityDepartment of Applied MathematicsBachelor of ScienceBSc program in Applied Mathematics and computer science.

� Skills

• Chemical PhysicsTheoretical knowledges: Statistical Mechanics, Classical Density Functional Theory, Ornstein-Zernike equation, Reference Interaction Site Model, Fundamental Measure theorySimulation skills: MD/MC simulations with different Force-fields, analyzing of the trajec-tories, Direct Solvation Free Energy calculations. (GROMACS) Development of MC code(LJ ewald summations, force-biased MC) Experience in quantum mechanical calculations(Gaussian, ADF, Orca).

• Programming SkillsProgramming Languages : C, C++, C++11, Java, fortran, R, Matlab, python, bash,javascipt, phpTechnologies: STL, templates, design-patterns, sql-databases, multi-threading, servlets/jsp

• Mathematical skillsNumerical methods: Finite element method, Minimization problem. numerical integration,splines Fourier Transformations, waveletsComputer Science, Discrete mathematics, AI: Neural networks, genetic algorithms, imageprocessing, lossy and lossless coding

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� Publications

1. Volodymyr P. Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque, and Daniel Borgis“Solvation free-energy pressure corrections in the three dimensional reference interaction sitemodel”, J Chem Phys 2015, 143, 184116 ; DOI: 10.1063/1.4935065

2. Jeanmairet, G., Levesque, M., Sergiievskyi, V.; Borgis, D.“Molecular density functional theory for water with liquid-gas coexistence and correct pres-sure.”, J. Chem. Phys. 2015, 142, 154112 ;

3. Sergiievskyi, V.P.; Jeanmairet, G; Levesque, M; Borgis, D“Fast Computation of Solvation Free Energies with Classical Density Func-tional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections”,

J. Phys. Chem. Letters 2014, 5, pp 1935-1942 ;

4. Sergiievskyi, V.P. Fedorov, M. V“3DRISM Multi-grid Algorithm for Fast Solvation Free Energy Calculations”,J. Chem. Theor. Comput. 2012, 8, pp 2062-2070 ;

5. Sergiievskyi, V.P.; Hackbusch, W.; Fedorov, M.V.“Multigrid Solver for the Reference Interaction Site Model of Molecular Liquids Theory”,J. Comput. Chem. 2011, 32, pp 1982-1992 ;

6. Sergiievskyi, V.P.“Model for Calculating the Free Energy of Hydration of Bioactive Compounds Based on Inte-gral Equations of the Theory of Liquids”, Russian J. Phys. Chem. B 2011, 5, pp. 326-331 ;

7. Sergievskii, V. P.; Frolov, A. I.,“A universal bridge functional for infinitely diluted solutions: A case study for Lennard-Jonesspheres of different diameters”, Russian J. Phys. Chem. A 2012, 8, pp. 1254-1260 ;

8. Sergievskii, V. P.“Fast calculation of thermodynamic and structural parameters of solutions using the 3DRISMmodel and the multi-grid method”, 2011, , arXiv:1111.2033v1 ;

9. Ratkova, E. L.; Chuev, G. N.; Sergiievskyi, V. P.; Fedorov, M. V.;“An Accurate Prediction of Hydration Free Energies by Combinationof Molecular Integral Equations Theory with Structural Descriptors”,J. Phys. Chem. B 2010, 114, pp 12068-12079 ;

10. Palmer, D. S.; Sergiievskyi, V. P.; Jensen, F.; Fedorov, M. V.“Accurate calculations of the hydration free energies of druglike molecules using the referenceinteraction site model”, J. Chem. Phys 2010, 133, 044104 ;

11. Kolombet V.A.; Sergievskii V.P.“The Special Features of the Thermodynamic Characteristics of Hydra-tion of Univalent Ions According to the Reference Interaction Site Model”,Russian J. Phys. Chem. A 2010, 84, pp. 1467-1472 ;

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� Referees

1. Prof. Eckhard SpohrTheoretical Chemistry Faculty

Universitat Duisburg-EssenUniversitatsstraße 545117 Essen

0201 / 183 - 23600201 / 183 - 2656

eckhard.spohr@uni-due.de

2. Prof. Daniel BorgisResearch Director CNRS DR2

Ecole Normale Superieure - Chemistry Department24 rue LhomondF-75231 Paris Cedex 05 - France

tel: (+33) 1 44 32 33 41fax: (+33) 1 44 32 24 02e-mail: daniel.borgis@ens.fr