プロフィール詳細

プロジェクトを作成

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Dr. Gabrijel Z.に依頼

Croatia

Computational Chemist (PhD) | DFT, TS Searches, Mechanistic Modeling, Radical Chemistry | ORCA/xTB/CREST | Cloud HPC

プロフィール概要

I am a PhD computational and physical organic chemist specializing in DFT modeling, transition-state searches, mechanistic elucidation, and radical chemistry. My research background includes nitrogen-centered radicals, Hofmann–Löffler–Freytag (HLF) reactions, hydrogen abstraction, peptide-like conformational landscapes, and radical chain propagation. I run high-performance ORCA/xTB/CREST workflows on scalable cloud HPC resources (AWS/Oracle Cloud), which enables fast, reliable calculation of optimized structures, transition states, conformational ensembles, solvent effects (PCM/SMD), and thermochemistry for both academic and industry clients. I have extensive experience with organic molecules, heterocycles, peptides, reactive intermediates, radical pathways, and photochemical processes. My deliverables include clean mechanistic reports, energy diagrams, ΔG/ΔH/barrier tables, IRC pathways, and clear recommendations. I respond quickly, communicate clearly, and can begin immediately.

専門分野

• ★ Computational Chemistry
• ☆ Physical Chemistry
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Chemoinformatics
• ☆ Quantum Chemistry
• ☆ Theoretical Chemistry
• ☆ Physical Organic Chemistry
• ☆ Drug Discovery
• ☆ Medicinal Chemistry
• ☆ Pharmaceutical Technology

サービス

• Writing
• Research
• Consulting
• Data & AI
• Product Development

Writing Technical Writing

Research Meta-Research, Feasibility Study, Technology Scouting, Gap Analysis, Scientific and Technical Research

Consulting Healthcare Consulting, Scientific and Technical Consulting

Data & AI Predictive Modeling, Algorithm Design-Non ML, Data Visualization, Data Processing, Data Insights

Product Development Concept Development

職務経験

PostdoctoralResearcher

University of Zagreb, Faculty of Pharmacy and Biochemistry

7月 2025 - 現在

University of Zagreb Faculty of Pharmacy and Biochemistry

4月 2021 - 現在

Doctoral Research

University of Zagreb, Faculty of Pharmacy and Biochemistry

4月 2021 - 4月 2025

学歴

Doctor of Philosophy (PhD), Organic & Computational Chemistry

Faculty of Pharmacy and Biochemistry, University of Zagreb

9月 2021 - 6月 2025

Master of Science (MSc), Applied Chemistry

Faculty of Chemical Engineering and Technology, University of Zagreb

9月 2018 - 9月 2020

Bachelor of Science (BSc), Applied Chemistry

Faculty of Chemical Engineering and Technology, University of Zagreb

9月 2013 - 9月 2018

認定資格

• PhD in Chemistry (Computational & Physical Organic Chemistry)

  University of Zagreb, Faculty of Pharmacy and Biochemistry

  https://fbf.pharma.hr/UserDocsImages/Dokumenti/Studiji/Doktorski/Radovi/Zubčić_doktorski_rad_final.pdf

  1月 2025 - 現在

出版物

JOURNAL ARTICLE

Gabrijel Zubčić, Luka Andrijanić, Iva Džeba, Jiangyang You, Tomislav Friganović, Tomislav Portada, Kristina Pavić, Erim Bešić, Valerije Vrček, Davor Šakić (2025). Mechanistic Insights into the Propagation Cycle of the Hofmann–Löffler–Freytag Reaction: Halogen vs Hydrogen Atom Transfer . The Journal of Organic Chemistry.

Gabrijel Zubčić, Kristina Pavić, Jiangyang You, Valerije Vrček, Tomislav Portada, Erim Bešić, Davor Šakić (2024). Light-induced rearrangement from macrocyclic to bicyclic lactam: A case study of N-chlorinated laurolactam . Acta Pharmaceutica.

Gabrijel Zubčić, Jiangyang You, Fabian L. Zott, Salavat S. Ashirbaev, Maria Kolympadi Marković, Erim Bešić, Valerije Vrček, Hendrik Zipse, Davor Šakić (2024). Regioselective Rearrangement of Nitrogen- and Carbon-Centered Radical Intermediates in the Hofmann–Löffler–Freytag Reaction . The Journal of Physical Chemistry A.

Gabrijel Zubčić, Mateja Toma, Jasmina Lapić, Senka Djaković, Davor Šakić, Valerije Vrček (2022). Ferrocenoyl-adenines: substituent effects on regioselective acylation . Beilstein Journal of Organic Chemistry.

Gabrijel Zubčić, Sofia Shkunnikova, Davor Šakić, Marijan Marijan (2022). Renaissance of the Hofmann-Löffler-Freytag Reaction – Development of C–H Functionalisation Strategies Based on Green Chemistry Principles . Chemistry in Industry: Journal of Croatian Chemists and Chemical Engineers.