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Doc TS

@docts

Computational chemist and independent research consultant applying AI/ML to molecular design, screening, and property prediction.

Romania
Message

As an Independent Research & Technical Consultant, I conduct research, technical analysis, literature reviews, and scientific writing for international projects. In 2024, I completed a research project on AI and machine-learning applications in chemistry, including de novo molecular design, virtual screening, and property prediction.

At the Computer Chemistry Center, Friedrich-Alexander-Universität Erlangen-Nürnberg, I led theoretical and computational chemistry research on porphyrins, solar-cell related systems, reaction mechanisms, and molecular and electronic materials. I applied DFT and related quantum-chemical methods to study structure, energetics, reactivity, and electronic properties.

My work also includes teaching organic and computational chemistry, supervising undergraduate and graduate researchers, and communicating research through publications, lectures, and technical writing. I have authored 63+ peer-reviewed articles, 4 patents, 5 book chapters, and 1 book.

Experience

Work history, roles, and key accomplishments

IP
Current

Independent Research & Technical Consultant

International Research and Technology Projects

Jan 2021 - Present (5 years 9 months)

Conducts research, literature reviews, technical analysis, and scientific/technical writing for international clients across chemistry, AI/ML, technology, and interdisciplinary topics. Completed a 2024 research project on AI and machine-learning applications in chemistry.

Friedrich-Alexander-Universität Erlangen-Nürnberg logoFE

Research Assistant/Humboldt Research Fellow

Friedrich-Alexander-Universität Erlangen-Nürnberg

Jan 2005 - Dec 2011 (6 years 11 months)

Performed computational studies of porphyrins, catalysis, reaction mechanisms, adsorption, surface chemistry, and solar-cell related systems using DFT and ab initio methods. Published peer-reviewed research and presented findings internationally.

NK

Assistant Professor/Researcher/PhD Research

National Technical University of Ukraine KPI

Jan 2000 - Dec 2007 (7 years 11 months)

Taught organic chemistry and related advanced chemistry topics while conducting DFT and ab initio studies of organic reaction mechanisms, alkane activation, cage compounds, and computational physical chemistry.

Education

Degrees, certifications, and relevant coursework

Friedrich-Alexander-Universität Erlangen-Nürnberg logoFE

Friedrich-Alexander-Universität Erlangen-Nürnberg

Habilitation, Theoretical and Computational Chemistry

Habilitation in Theoretical and Computational Chemistry, completed in 2018.

NK

National Technical University of Ukraine 'KPI'

PhD, Computational Organic Chemistry

2000 - 2003

Grade: excellent (magnum cum laude)

PhD in Computational Organic Chemistry, with thesis on quantum-chemical study of alkane activation with electrophiles. Grade: excellent (magnum cum laude).

NK

National Technical University of Ukraine 'KPI'

M.Eng., Chemical Engineering / Organic Chemistry

1998 - 2000

M.Eng. in Chemical Engineering with focus on Organic Chemistry, thesis on DFT and ab initio study of alkane activation.

NK

National Technical University of Ukraine 'KPI'

B.Sc., Chemical Engineering

1994 - 1998

B.Sc. in Chemical Engineering.

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