Wrocław University of Science and Technology Faculty of Chemistry

THEORETICAL PHOTOCHEMISTRY LAB

Bartosz Błasiak, Ph.D.

Bartosz Błasiak, Ph.D.

Bartosz Błasiak is a theoretical chemist and an ongoing collaborator of Robert W. Góra. Since 2021, he has worked as a research associate at the Institute for Physical and Theoretical Chemistry, Goethe University Frankfurt, in the Theoretical Chemistry of Complex Systems group (Irene Burghardt). He obtained his master’s degree in bioinformatics at Wrocław University of Science and Technology in 2012 under Robert W. Góra and his Ph.D. in theoretical chemistry at Korea University in 2016 under Minhaeng Cho. His earlier appointments included postdoctoral research in Seoul and Frankfurt, followed by a group-leader position at Wrocław University of Science and Technology in 2017–2020.

Personal website: Electronic Structure of Condensed-Phase Systems · Curriculum vitae · Full publication list

Research and collaboration

His research focuses on quantum chemical descriptions of condensed-phase systems, particularly solvation and vibrational spectroscopy. Fragmentation methods divide a large molecular environment into smaller units from which its electronic properties can be reconstructed. His work includes effective one-electron potentials for interaction energies and excitonic couplings, and SolEFP/Bio-SolEFP models for infrared probes in solvents and proteins. These approaches aim to retain a quantum mechanical description while reducing the cost of calculations on extended systems.

His ongoing collaboration with Robert W. Góra concerns intermolecular interactions, nonlinear optical properties and excitation energy transfer. Their joint studies include distributed multipole representations of transfer couplings and effective one-electron potentials for fragment-based calculations.

His recent work also addresses quantum dynamics at conical intersections in solution, including neural-network representations and thermofield methods for finite-temperature wavefunction dynamics. A 2026 study examines reduced density matrices and phase-space distributions in thermofield dynamics.

POLONEZ project

Bartosz led the POLONEZ 3 project on effective one-electron potentials at Wrocław University of Science and Technology from 1 November 2017 to 31 October 2019 (NCN grant 2016/23/P/ST4/01720). Robert W. Góra and Wojciech Bartkowiak were research partners. The project addressed efficient descriptions of extended molecular systems, including excitation energy transfer and fragment-based interaction energy models.

POLONEZ project website · Project team and biography · Project publications

Distinctions

His distinctions include the Exceptional Young Researchers Award from the Polish Ministry of Science and Higher Education (2018), the Foundation for Polish Science START stipend (2019), and participation in the Lindau Nobel Laureate Meetings in 2021 and 2022. Foundation for Polish Science announcement.

Recent research publications

  1. B. Błasiak, D. Brey, R. Martinazzo and I. Burghardt. Reduced Density Matrices and Phase-Space Distributions in Thermofield Dynamics. The Journal of Chemical Physics, 2026, 164, 044124.
  2. B. Błasiak, D. Brey, R. Martinazzo and I. Burghardt. Quantum dynamics at conical intersections in solution. I. Multiplicative neural networks and thermofields. The Journal of Chemical Physics, 2025, 163, 124108.
  3. B. Błasiak, D. Brey, R. Martinazzo and I. Burghardt. Quantum dynamics at conical intersections in solution. II. Multiconfigurational wavefunction dynamics at finite temperature. The Journal of Chemical Physics, 2025, 163, 124109.

Selected shared publications

  1. Bartosz Błasiak, Joanna D. Bednarska, Marta Chołuj, Robert W. Góra and Wojciech Bartkowiak. Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials. Journal of Computational Chemistry, 2021, 42, 398–411.
  2. Bartosz Błasiak, Wojciech Bartkowiak and Robert W. Góra. An effective potential for Frenkel excitons. Physical Chemistry Chemical Physics, 2021, 23, 1923–1935.
  3. Bartosz Błasiak, Michał Maj, Minhaeng Cho and Robert W. Góra. Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer Couplings. Journal of Chemical Theory and Computation, 2015, 11, 3259–3266.
  4. Robert W. Góra and Bartosz Błasiak. On the Origins of Large Interaction-Induced First Hyperpolarizabilities in Hydrogen-Bonded π-Electronic Complexes. The Journal of Physical Chemistry A, 2013, 117, 6859–6866.

Biographical and research information: Bartosz Błasiak’s personal website, curriculum vitae and POLONEZ project archive. Photograph: POLONEZ project website.