Adrian M. V. Brânzanic

Curriculum Vitae

Adrian M. V. Brânzanic

Computational & theoretical chemist · Babeș-Bolyai University, Cluj-Napoca

Emailadrian.branzanic@ubbcluj.ro
Phone+40 748 127 834
Addressstr. Arany János 11, 400028 Cluj-Napoca, Romania
Born15 February 1988 · Romanian
Download CV (PDF) Google Scholar ORCID

Profile

Computational and theoretical chemist with more than a decade of research experience bridging theory and experiment. My work combines density functional theory and methods beyond it — TD-DFT, QM/MM, molecular dynamics and non-equilibrium Green’s-function transport — to explain how metals, clusters and functional molecules bind and transform. Interests span bioinorganic reactivity and metalloenzyme mechanisms, cobalamin and siroheme chemistry, boron and gold clusters, small-molecule activation, photofunctional dyes, and the foundations of quantum chemistry.

Education

  • 2013 – 2020
    PhD in Chemistry EQF 8
    Babeș-Bolyai University, Cluj-Napoca. Computational & theoretical chemistry; advisor Prof. Radu Silaghi-Dumitrescu. Thesis defended September 2020.
  • 2011 – 2013
    MSc in Chemical Engineering EQF 7
    Babeș-Bolyai University, Cluj-Napoca, Romania.
  • 2007 – 2011
    BSc in Chemical Engineering EQF 6
    Babeș-Bolyai University, Cluj-Napoca, Romania.

Appointment

  • Present
    Researcher — “Raluca Ripan” Institute for Research in Chemistry
    Babeș-Bolyai University, Cluj-Napoca. Also with the Interdisciplinary Research Institute on Bio-Nano Sciences. Principal investigator on national research grants.

Skills and software

Methods: DFT, TD-DFT, NEGF-DFT electron transport, multireference and semi-empirical methods, QM/MM, molecular dynamics, Monte-Carlo docking & adsorption, coarse-grained dynamics, solid-state chemistry, wavefunction analysis.

Quantum chemistry: Turbomole, ORCA, Gaussian, OpenMolcas, Dalton, Columbus, DMol³.

Molecular mechanics: Amber, GROMACS, HADDOCK, S4MPLE.

Solid state / materials: Materials Studio, Quantum ESPRESSO, CASTEP, DFTB+, ONETEP.

Analysis & visualisation: Multiwfn, TheoDORE, PyMOL, VMD, GaussView, TmoleX, Chemcraft, Chimera, Mercury, Spartan, HyperChem.

Computing: experienced user of Linux, macOS and Windows.

Research visits & schools

  • 202529 Aug – 10 Sep
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 20244–15 Sep
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 202318–27 Oct
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 202318–24 Sep
    J. Heyrovský Institute of Physical Chemistry, Prague, Czechia
    Research stay — Martin Srnec group.
  • 202121 Jan
    Introduction to HPC and Kebnekaise — HPC2N, Umeå University, Sweden
    Training course (online).
  • 202028 Nov – 16 Dec
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 20207 Oct – 7 Nov
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 20194 Apr – 1 May
    University of Georgia, Athens, USA
    Research stay — R. Bruce King group.
  • 201919–21 Jun
    PT-symmetric quantum theory — lecture course by Carl M. Bender (Washington University)
    Laboratoire de Chimie Théorique, Sorbonne Université, Paris, France.
  • 201717–20 Dec
    33rd Winter School in Theoretical Chemistry, Helsinki
    University of Helsinki, Finland.
  • 201624–28 Jul
    Summer School on Molecular Boron Chemistry, Würzburg
    Julius-Maximilians-University, Germany.
  • 20161 Jun – 4 Jul
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 201529 Nov – 15 Dec
    Lund University, Sweden
    Research stay — Ulf Ryde group.
  • 201531 Aug – 29 Sep
    Lund University, Sweden
    POSDRU placement — Ulf Ryde group.
  • 201530 Apr – 30 May
    Lund University, Sweden
    POSDRU placement — Ulf Ryde group.
  • 20144–9 Sep
    MatCatNet workshop “From Molecules to Functionalised Materials”
    Ohrid, North Macedonia.
  • 201430 Jun – 30 Aug
    SOE-DAAD placement, Leipzig University
    Leipzig, Germany — Evamarie Hey-Hawkins group.

Organising conferences and schools

  • 202618–20 Jun
    Molecular Modeling in Chemistry and Biochemistry (MolMod), 11th edition
    Organising committee, Cluj-Napoca.
  • 2022 – 2023
    Molecular Modeling in Chemistry and Biochemistry (MolMod), 10th edition — online lecture series
    Organising committee, Cluj-Napoca.
  • 201828–30 Oct
    Molecular Modeling in Chemistry and Biochemistry (MolMod), 9th edition
    Organising committee, Cluj-Napoca.
  • 201613–15 Nov
    Molecular Modeling in Chemistry and Biochemistry (MolMod), 8th edition
    Organising committee, Cluj-Napoca.
  • 201413–15 Nov
    Molecular Modeling in Chemistry and Biochemistry (MolMod), 7th edition
    Organising committee, Cluj-Napoca.
  • 202628 Sep – 2 Oct
    QCES — Quantum Chemistry of Excited States International School (3rd edition)
    Co-organiser, Cluj-Napoca.
  • 202529 Sep – 3 Oct
    QCES — Quantum Chemistry of Excited States International School (2nd edition)
    Co-organiser, Cluj-Napoca.
  • 202425–29 Nov
    QCES — Quantum Chemistry of Excited States International School (1st edition)
    Co-organiser, Cluj-Napoca.
  • 2025
    Symposium on Theoretical Methods Applied in Biochemistry
    Organiser, Babeș-Bolyai University, Cluj-Napoca.

Awards

  • 2017Ivanovo
    First prize — XI All-Russian School-Conference of Young Scientists
    Oral presentation.
  • 2017Ivanovo
    First prize — 8th Russian School-Conference of Young Scientists
    Oral presentation.

Languages

Romanian — native speaker English — C2 (proficient)

Talks and seminars

  1. Quantum Chemistry of Excited States (QCES) International School, 28 September – 2 October 2026, Cluj-Napoca, Romania. – Lecturer.
  2. 25th-anniversary meeting of the Interdisciplinary Research Institute on Bio-Nano Sciences (ICI-BNS), 15 May 2026, Cluj-Napoca, Romania. – Invited talk.
  3. Department of Medicinal Chemistry, University of Uppsala, Sweden, 15–22 April 2026. – Invited lecture series (two lectures).
  4. Max Planck Institute for Solid State Research, Stuttgart, Germany, 15 January 2026. – Invited seminar.
  5. MolMod Lectures 2022–2023 (online), Cluj-Napoca — “Exchange interactions in biochemistry” (Parts 1 & 2), 20 January and 10 February 2023. – Invited lectures.
  6. Center for Computational Quantum Chemistry (CCQC), University of Georgia, Athens, USA, 2 May 2019. – Invited seminar.

Conferences

  1. Molecular Modeling in Chemistry and Biochemistry (MolMod 2026), 18–20 June 2026, Cluj-Napoca, Romania. – Keynote lecture.
  2. International Society of Quantum Biology and Pharmacology (ISQBP) President’s Meeting, 15–18 June 2026, Cluj-Napoca, Romania. – Poster presentation.
  3. Young Researchers’ International Conference on Chemistry and Chemical Engineering (YRICCCE V), 8–10 May 2025, Cluj-Napoca, Romania. – Oral presentation.
  4. 14th European Conference on Computational and Theoretical Chemistry, 27–31 August 2023, Thessaloniki, Greece. – Poster presentation.
  5. 20th International Conference on Biological Inorganic Chemistry, 16–21 July 2023, Adelaide, Australia. – Oral presentation.
  6. 17th International Congress of Quantum Chemistry, 26 June – 1 July 2023, Bratislava, Slovakia. – Poster presentation.
  7. 16th European Biological Inorganic Chemistry Conference, 17–21 July 2022, Grenoble, France. – Poster presentation.
  8. Young Researchers’ International Conference on Chemistry and Chemical Engineering (YRICCCE III), 4–5 June 2021, Cluj-Napoca, Romania. – Oral presentation.
  9. 9th Molecular Modeling in Chemistry and Biochemistry, 28–30 October 2018, Cluj-Napoca, Romania. – Oral presentation.
  10. 35th Romanian National Chemistry Conference, 2–5 October 2018, Căciulata, Romania. – Oral presentation.
  11. XI All-Russian School-Conference of Young Scientists — theoretical and experimental chemistry of liquid-phase systems, 30 October – 4 November 2017, Ivanovo, Russia. – Oral presentation, awarded 1st prize.
  12. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry, 27 August – 1 September 2017, Munich, Germany. – Poster presentation.
  13. 16th International Meeting on Boron Chemistry (IMEBORON XVI), 9–13 July 2017, Hong Kong, China. – Poster presentation.
  14. International Conference Bio-Nano-Math-Chem, 28–30 June 2017, Cluj-Napoca, Romania. – Poster presentation.
  15. 8th Russian School-Conference of Young Scientists: quantum-chemical calculations, structure and reactivity of organic and inorganic molecules, 24–26 April 2017, Ivanovo, Russia. – Oral presentation, awarded 1st prize.
  16. 8th Molecular Modeling in Chemistry and Biochemistry, 13–15 November 2016, Cluj-Napoca, Romania. – Oral presentation.
  17. 8th Molecular Quantum Mechanics, 26 June – 1 July 2016, Uppsala, Sweden. – Poster presentation.
  18. 1st Young Researchers’ International Conference on Chemistry and Chemical Engineering (YRICCCE I), 12–14 May 2016, Cluj-Napoca, Romania. – Oral presentation.
  19. 10th European Conference on Computational Chemistry, 31 August – 3 September 2015, Fulda, Germany. – Poster presentation.
  20. 7th Molecular Modeling in Chemistry and Biochemistry, 13–15 November 2014, Cluj-Napoca, Romania. – Oral presentation.
  21. 33rd Romanian National Chemistry Conference, 1–3 October 2014, Căciulata, Romania. – Oral presentation.

Book

A. Lupan, A. M. V. Brânzanic, R. Silaghi-Dumitrescu. Elemente de chimie computațională (Elements of Computational Chemistry). Presa Universitară Clujeană, Cluj-Napoca, 2024. ISBN 978-606-37-2255-4. Open access (CC BY 4.0).

Selected publications

Thirty-four peer-reviewed articles (2014–2026). The full list with DOIs — and corresponding-author roles marked — is on the publications page and on Google Scholar.

  • 2026 · Nature Communications
    Can ferric-oxyl excited states explain elongated iron–oxygen bonds in heme peroxidase catalytic intermediates?
    Williams, Kamps, Brânzanic, Lehene, et al.
  • 2026 · Chem. Eur. J.
    Rationales for the choice of metals for super-reduced biological metal centres: cobalt in cobalamin versus nickel in F430
    Onija, Cosma, Brânzanic, Silaghi-Dumitrescu.
  • 2026 · J. Inorg. Biochem.
    No heme–chlorite adduct in the catalytic cycle of chlorite dismutase: QM/MM and dynamics
    Cosma, Gorgan, Brânzanic, Silaghi-Dumitrescu — Brânzanic corresponding author.
  • 2019 · Chem. Commun.
    Why does sulfite reductase employ siroheme?
    Brânzanic, Ryde, Silaghi-Dumitrescu · 55, 14047–14049.
  • 2014 · Organometallics
    Six-vertex hydrogen-rich Cp2M2B4H8 dimetallaboranes of the second- and third-row transition metals
    Brânzanic, Lupan, King · 33(22), 6443–6451.

Research grants and projects

  • 2023 – 2025
    Promotion of intramolecular electron-transfer routes within oxygen-carrying biomolecules to counter autoxidation
    Principal investigator.
  • 2024 – 2026
    Targeted tumour therapy with multifunctional platinum(IV)–drug conjugates (T3Pt)
    PNRR-III-C9-2023-I8-CF · team member.
  • 2022 – 2024
    Reactivity of peripheral heme toward sulfur- and oxygen-based stressors
    PN-III-P1-1.1-PD-2021-0279 · principal investigator.
  • 2020 – 2021
    Three unresolved aspects of the sulfite-reductase active site
    GTC-32141/2020 · principal investigator.
  • 2020 – 2022
    Semi-artificial oxygen carriers
    PN-III-P2-2.1-PED-2019-2293 · team member.
  • 2017
    Research-mobility project
    PN-III-P1-1.1-MC-2017-2121 · project leader.
  • 2017 – 2019
    Molecular metal clusters: a bridge between small molecules and nanocrystals
    PN-III-P4-ID-PCE-2016-0089 · team member.
  • 2015 – 2017
    Polyhedral metallaboranes: metal clusters stabilised in borane matrices
    PN-II-RU-TE-2014-4-1197 · team member.
  • 2013 – 2016
    Redox activation of small molecules by biologically relevant metal centres
    PN-II-ID-PCE-2012-4-0488 · team member.