Bartosz Błasiak
Early Career Scientist, Goethe University Frankfurt
Institute for Physical and Theoretical Chemistry
AK Burghardt
Max von Laue-Str. 7
60438 Frankfurt am Main
Work Experience
2021-now
Research associate, Institute for Physical and Theoretical Chemistry, Goethe University Frankfurt, Germany.
2017-2020
Group leader, assistant professor, Electronic Structure of Extended Systems, Wroclaw University of Science and Technology, Poland.
2017
Postdoc, Institute for Biophysics, Goethe University Frankfurt, Germany.
2016-2017
Postdoc, IBS Center for Multidimensional Spectroscopy and Dynamics,
Seoul, South Korea.
Achievements
Research funding
2017-2019
Polonez 3.
(National Science Centre in Poland,
H2020-MSCA-CoFund, 170 000€)
Title: One-electron effective potentials for applications in quantum chemistry
of extended molecular aggregates.
This grant allowed me to create my first research group,
organize workshops, lead multiple projects and establish my own approach
to Quantum Chemistry.
Scientific
2018
Promising approach to fragmentation of electronic density.
In this work I establish my approach
to fragmentation of electronic density.
It is a basis for new strategies
of fragmentation that were not explored in the past, potentially leading
to more efficient electronic structure calculations of large systems.
2021
Excitonic Hamiltonian Calculations Made Ultraefficient.
Me and my group developed a protocol of elimination of electron repulsion integrals called
effective one-electron potentials (EOPs)
that enables to calculate Dexter and indirect (short range) contributions
to excitonic Hamiltonians with negligible computational time by using perturbation methods.
We showed that CPU time can be reduced by 3-5 orders of magnitude as compared to state of the art methods.
This could be used in new fragmentation schemes for optoelectronics and light harvesting systems.
2013-2017
H-Bond and Polarizability Interactions with Vibrational Probes in Biomolecules Described For The First Time.
During my PhD I developed
original electronic structure approach
called
SolEFP
that allows one to simulate IR spectra of IR probes in various environments
(from
solvents
to
proteins)
with good accuracy and efficiency. It
builds vibrational property of condensed phase system directly from fragments -
as simple as combining "LEGO electronic structure blocks" together.
Awards and honors
As PI
2022
Member of 71st Lindau Nobel Laureate Meeting Chemistry,
sponsored by Foundation For Polish Science (FNP),
German Research Foundation (DFG) and Lindau Nobel Laureate Meetings (LINO).
2021
Member of 70th Lindau Nobel Laureate Meeting Chemistry,
sponsored by Foundation For Polish Science (FNP)
and Lindau Nobel Laureate Meetings (LINO).
2019
START Award for Emerging Young Scientists, 6000€, Foundation For Polish Science, Warsaw, Poland.
2018
Exceptional Young Researchers Award, 42000€, Ministry of Science and Higher Education, Warsaw, Poland.
During PhD
2016
First Poster Prize at IBS Meeting, IBS Center of Multidimensional Spectroscopy and Dynamics, Seoul, South Korea.
2014
IUPAC Poster Prize, Korean Chemical Society, Seoul, South Korea.
2014
Best Poster Award, Korean Chemical Society, Seoul, South Korea, competing posters: >600 posters.
2014
Brain Korea 21 Scholarship Award, Korean Government, Seoul, South Korea.
This scholarship award allowed me to go for 1 month research visit to University of Texas
at Austin and collaborate with Prof. Dr. Lauren J. Webb on the topic of molecular dynamics
simulations and IR spectra calculations of the IR probes at protein interfaces.
Education
2012-2016
Ph.D., Theoretical Chemistry:
Vibrational Solvatochromism Theory
Advisor:
Prof. Dr. Minhaeng Cho,
Korea University, Seoul, South Korea.
2011-2012
M. Eng., Bioinformatics:
Non-linear electrooptic properties of organic systems
Advisor:
Prof. Dr. Robert W. Góra,
Wroclaw University of Science and Technology, Poland.
Service
Meetings
2019
Workshop Organizer and Tutor, Quantum Chemistry With Python: Developing Own Scientific Ideas, Wrocław, Poland.
2021
Conference Session Chairman, Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, Les Houches, France (online due to COVID).
2016
Workshop Organizer and Tutor, Infra-red Spectra with Solvshift: From Solvents to Proteins, Seoul, South Korea.
Peer Review Activity
2016-now
J. Chem. Theory Comput.,
J. Phys. Chem. A, J. Phys. Chem. B, J. Mol. Model.
Teaching
2023-now
Chemie für Mediziner und Zahnmediziner: Labor
2021-now
Highlights der Photochemie
2021-now
Aktuelle Themen der Physikalischen und Theoretischen Chemie: Zeitaufgelöste Spektroskopie
Supervision
Postdoctoral researchers
2018-2019
Dr. Marta Chołuj, Department of Chemistry, Wroclaw University of Science and Technology, Wrocław, Poland.
2018-2019
Dr. Joanna D. Bednarska, Department of Chemistry, Wroclaw University of Science and Technology, Wrocław, Poland.
Bachelors theses
2021
Younghui Yun, Topic: Theoretical Modeling of Two-Dimensional Infrared (2D-IR) Spectroscopy,
Goethe University Frankfurt,
Frankfurt am Main, Germany.
2023
Paul Rumpf, Topic: Development of Neural Network Potentials for
Multi-Configurational Quantum Dynamics, Goethe University Frankfurt,
Frankfurt am Main, Germany.
Publications
Publication list also available in Google Scholar. ★ = postdoc researcher
Journal articles
2024
[20] J. A. Green, D. Brey, L. P. Razgatlioglu, B. Ali, B. Błasiak, Irene Burghardt. Internal Conversion Cascade in a Carbon Nanobelt: A Multiconfigurational Quantum Dynamical Study. J. Chem. Theory Comput., 2024, 20, 8127.
2022
[19] B. Błasiak, D. Brey, W. Koch, R. Martinazzo, I. Burghardt. Modelling Ultrafast Dynamics at a Conical Intersection with Regularized Diabatic States: An Approach Based on Multiplicative Neural Networks. Chem. Phys., 2022, 560, 111542.
2021
[18] B. Błasiak, J. D. Bednarska★, M. Chołuj★, R. W. Góra, W. Bartkowiak. Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials. J. Comput. Chem., 2021, 42, 398.
[17] B. Błasiak, W. Bartkowiak, R. W. Góra. An effective potential for Frenkel excitons. Phys. Chem. Chem. Phys., 2021, 23, 1923.
[16] M. Chołuj★, B. Błasiak, W. Bartkowiak. Partitioning of the interaction-induced polarizability of molecules in helium environments. Int. J. Quant. Chem., 2021, 121, e26544.
2020
[15] C. R. Baiz, B. Błasiak, et al.. Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chem. Rev., 2020, 15, 7152.
2019
[14] J. M. Schmidt-Engler, L. Blankenburg, B. Błasiak, L. J. G. W. van Wilderen, M. Cho, J. Bredenbeck. Vibrational Lifetime of the SCN Protein Label in H₂O and D₂O Reports Site-Specific Solvation and Structure Changes During PYP’s Photocycle. Anal. Chem., 2019, 92, 1024.
[13] L. Blankenburg, L. Schroeder, F. Habenstein, B. Błasiak, T. Kottke, J. Bredenbeck. Following local light-induced structure changes and dynamics of the photoreceptor PYP with the thiocyanate IR label. Phys. Chem. Chem. Phys., 2019, 21, 6622.
2018
[12] B. Błasiak. One-particle density matrix polarization susceptibility tensors. J. Chem. Phys., 2018, 149, 164115.
[11] R. J. Xu, B. Błasiak, M. Cho, J. P. Layfield, C. H. Londergan. A direct, quantitative connection between molecular dynamics simulations and vibrational probe line shapes. J. Phys. Chem. Lett., 2018, 9, 2560.
2017
[10] B. Błasiak, C. H. Londergan, L. J. Webb, M. Cho. Vibrational probes: From small molecule solvatochromism theory and experiments to applications in complex systems. Acc. Chem. Res., 2017, 50, 968.
2016
[9] B. Błasiak, A. W. Ritchie, L. J. Webb, M. Cho. Vibrational solvatochromism of nitrile infrared probes: Beyond the vibrational Stark dipole approach. Phys. Chem. Chem. Phys., 2016, 18, 18094.
[8] M. Maj, C. Ahn, B. Błasiak, K. Kwak, H. Han, M. Cho. Isonitrile as an ultrasensitive infrared reporter of hydrogen-bonding structure and dynamics. J. Phys. Chem. B, 2016, 120, 10167.
[7] A. Kundu, B. Błasiak, J.-H. Lim, K. Kwak, M. Cho. Water hydrogen-bonding network structure and dynamics at phospholipid multibilayer surface: femtosecond mid-ir pump–probe spectroscopy. J. Phys. Chem. Lett., 2016, 7, 741.
[6] T. Kwon, J. Park, H. Baik, S. Back, B. Błasiak, M. Cho, Y. Jung, K. Lee. Unexpected solution phase formation of hollow PtSn alloy nanoparticles from Sn deposition on Pt dendritic structures. CrystEngComm, 2016, 18, 6019.
2015
[5] B. Błasiak, M. Cho. Vibrational solvatochromism. III. Rigorous treatment of the dispersion interaction contribution. J. Chem. Phys., 2015, 143, 164111.
[4] B. Błasiak, M. Maj, M. Cho, R. W. Góra. Distributed multipolar expansion approach to calculation of excitation energy transfer couplings. J. Chem. Theory Comput., 2015, 11, 3259.
2014
[3] B. Błasiak, M. Cho. Vibrational solvatochromism. II. A first-principle theory of solvation-induced vibrational frequency shift based on effective fragment potential method. J. Chem. Phys., 2014, 140, 164107.
2013
[2] B. Błasiak, H. Lee, M. Cho. Vibrational solvatochromism: Towards systematic approach to modeling solvation phenomena. J. Chem. Phys., 2013, 139, 044111.
[1] R. W. Góra, B. Błasiak. On the origins of large interaction-induced first hyperpolarizabilities in hydrogen-bonded π-electronic complexes. J. Phys. Chem. A, 2013, 117, 6859.
Software
● B. Błasiak. Solvshift - Vibrational Solvatochromsim Package. 2012-2022.
● B. Błasiak, M. Chołuj★, J. D. Bednarska★, R. W. Góra, W. Bartkowiak. EOPDev 1.0.0, 2020-11-19 (v1.0.0). Zenodo, 2020.
Professional Memberships
2019-2020
American Chemical Society
2018-2019
Royal Society of Chemistry
Languages
Native: Polish
Fluent: English
Fair: German
Basic: Korean, Malay
Last updated: Nov 2024