My name is Andrii Kyrylchuk and I’m a PhD in organic chemistry. My research work began with quantum chemistry; then I’ve devoted almost 7 years to organic synthesis and then returned to computations. Now my work is mainly focused on quantum chemistry & molecular modeling, but I’m also interested in the topics of organic chemistry,  general chemistry, NMR, biochemistry, IT, astronomy etc.

This blog is mostly a notebook of tips&tricks for computational chemistry and IT, but its scope will be wider.

Curriculum Vitae

EDUCATION

2015
Ph.D., Institute of Organic Chemistry, NAS of Ukraine, Kyiv
Organoelement chemistry
Thesis title: Phosphorylated 1,2,4-triazoles
Defense Date: June, 2015

2010
M.Sc., National Technical University of Ukraine “Kyiv Polytechnic Institute”, Kyiv, Ukraine
Master of Science, Organic Chemistry and Chemical Technology of Organic Substances
Graduation Date: June, 2010 GPA: 5.0.
Finished with Cum Laude diploma

RESEARCH EXPERIENCE

2020–Present
Research Consultant
Enamine Ltd, Kyiv, Ukraine
 – Performing molecular docking and quantum-chemical investigations of organic compounds.

2018–2019
Researcher (Fulbright scholarship)
Physics and Astronomy Department, Michigan State University, USA
 – Quantum-chemical calculations of 2D materials.

2013–Present
Researcher
Institute of Organic Chemistry, NAS of Ukraine
 – Quantum-chemical investigation of mechanisms of formation and reactions of various organic compounds.
 – Molecular docking simulations of prospective drug candidates.
 – Quantum-chemical calculations of 2D carbon nanomaterials.

RESEARCH VISITS

Oct–Nov 2019 Faculty of Sciences, Sidi Mohammed Ben Abdellah University, Morocco
 – Molecular docking studies of antileishmanial drug candidates.

Jan–Mar 2018 Department of Chemistry, Ibn Tofail University, Morocco
 – Molecular docking studies for the design of novel antileishmanial drugs

Jan–Mar 2018 Department of Chemistry, Ibn Tofail University, Morocco
 – Molecular docking studies for the design of novel antileishmanial drugs

Nov–Dec 2015 Department of Chemistry, University of Helsinki, Finland
 – Molecular docking and quantum chemical studies based on the results of biological tests of previously synthesized neonicotinoid analogs.

Jun–Aug 2015 Institute of Polymers, Composites and Biomaterials, Italian National Research Council
 – Quantum chemical calculations for prediction of properties and stability of 2D black phosphorus nanoparticle-containing polymeric nanocomposites.

Apr–May 2015 Department of Chemistry, University of Helsinki, Finland
 – Computational studies of fluorinated neonicotinoid analogs.

Jun–Aug 2014 Department of Chemistry, University of Helsinki, Finland
 – Synthesis of neonicotinoid analogs based on fluorinated cyclic amines and cycloalkylamines.

PUBLICATIONS

See complete list of publications at Publications

PRESENTATIONS

See complete list of talks at Presentations

AWARDS  

2018 Fulbright Foreign Student Program Fellowship
2016 NAS of Ukraine Award for Young Scientists
2015 L. M. Markovsky Award for Outstanding Research Work, Department of Chemistry, National Academy of Sciences of Ukraine