Chemical and Biological Systems Simulation Laboratory

About us

The aim of LSSCB (Chemical and Biological Systems Simulation Lab) is to develop and apply theoretical and computational methods (ranging from quantum chemistry to molecular mechanics/dynamics) to describe chemical, physical and biological phenomena. A particular focus of the lab is on the prediction of homogeneous catalysis, protein structures, nanotechnology, and physical organic chemistry. We are interested in both basic research as well as its applications to help solve real industrial problems. LSSCB is affiliated with the Centre of New Technologies, University of Warsaw.

Ongoing and finished projects

Bis-carbene ruthenium complexes as specialized olefin metathesis catalysts, OPUS 22, 2022-2026. Funded by: National Science Center

Low-Dimensional Nano-Architectures for Light Emission and Light-to-Electricity Conversion, OPUS 20, 2022-2025. Funded by: National Science Centre

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Our recent publications

144. S. Swinnen, B. Baumgartner, B. Trzaskowski, A. Mullaliu, B.M. Weckhuysen, F. de Azambuja, T.N. Parac-Vogt, “Cluster Nuclearity Determines Substrate Adsorption/Desorption Dynamics and Peptidase Activity of UiO-66 Nanozymes”, Chem. Mater., 37, 2772-2782 (2025).

137. R.A. Grzelczak, T. Basak, B. Trzaskowski, V. Kinzhybalo, B. Szyszko, "Multimodal Molecular Motion in the Rotaxanes and Catenanes Incorporating Flexible Calix[n]phyrin Stations", Angew. Chem. Int. Ed., 64, e202413579 (2025). doi: 10.1002/anie.202413579

129. K.M. Bąk, B. Trzaskowski, M. Chmielewski, "Anion-templated synthesis of a switchable fluorescent [2]catenane with sulfate sensing capability", Chem. Sci., 15, 1796-1809 (2024). doi: 10.1039/D3SC05086F

128. A Sarwa, A. Białońska, M. Sobieraj, J.P. Martinez, B. Trzaskowski, B. Szyszko, "Iminopyrrole-based Self-Assembly: A Route to Intrinsically Flexible Molecular Links and Knots", Angew. Chem. Int. Ed., 63, e202316489 (2024). doi: 10.1002/anie.202316489

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Leader

Bartosz Trzaskowski is a group leader at the Centre of New Technologies (CeNT), University of Warsaw. He is interested in the development of computational methods for the description of chemical, physical and biological phenomena. His main research area is the mechanistic description of various catalytic processes, particularly those related to olefin metathesis catalyzed by ruthenium-based complexes. He is also interested in chemistry of carbenes, organocatalysis and mechanically interlocked molecular architectures in the context of stereoselective catalysis.

A native of Warszawa, Poland, Bartosz Trzaskowski received his M.Sc. in Chemistry from University of Warsaw in 2001 followed by Ph.D. in Chemical Sciences also from University of Warsaw in 2005. In 2017 he defended his habilitation thesis and became an associate professor and since 2023 he is a full professor of chemistry. He is recipient of a number of fellowships awarded by the European Molecular Biology Organization, Foundation for Polish Science, Polish Ministry of Science and Higher Education, Swedish Institute and the University of Sydney. He has broad expertise in the fields of quantum and computational chemistry, biology, biochemistry and materials science. He can be reached at b.trzaskowski@cent.uw.edu.pl.

Group

Senior members

Silvio Osella

Postdocs

Juan Pablo Martinez
Dejan Milenkovic
Mateusz Wlazło

PhD students

Tymoteusz Basak
Huiying Huang
Piotr Krajewski

Students

Łukasz Cieszyński, Kamil Szychta, Klaudia Korytkowska

Join us

LSSCB is always looking for computational chemists and biologists, mathematicians, physicists and programmers, as well as other computational scientists. Relevant areas of experience might include the study of catalytic processes, computational organic chemistry, structure prediction or design for proteins, computational nanotechnology, design of new materials or development and implementation of new methodologies and/or computational protocols. Specific knowledge of any of these areas is, however, NOT critical. We seek people with outstanding intellectual ability and strong research skills. We are committed to fostering a stimulating, rewarding, and flexible work environment. IF YOU'RE INTERESTED IN WORKING WITH US PLEASE SEND US AN EMAIL (b.trzaskowski@cent.uw.edu.pl) EVEN IF THERE ARE CURRENTLY NO OPENINGS - WE'RE CONSTANTLY LOOKING FOR NEW, ENTHUSIASTIC PEOPLE.

Contact

b.trzaskowski@cent.uw.edu.pl

Centre of New Technologies, room 04.59

University of Warsaw, Ochota campus

Banacha 2C, 02-097 Warszawa, Poland

Chemical and Biological Systems Simulation Laboratory

is a part of

Centre of New Technologies

University of Warsaw

Seminars

In the 2024/2025 spring semester our LSSCB seminars are Thursdays at noon in 04.53 (CeNT); you're welcome to join us!

Next seminars:

Previous seminars:

  • May 26, 2025: Claudio Quarti (UMons) "Know your enemy: exploiting symmetry analysis to interpret the results of advanced first-principle calculations"
  • April 10, 2025: Juan Pablo Martinez (CeNT) "My Journey Learning Machine Learning for Chemistry"
  • March 20, 2025: Tymoteusz Basak (CeNT) "Oh, come on, carbon, you don't always have to be the main character! Cyclic triel carbenoids as potential ligands for ruthenium-based olefin metathesis catalysts
  • February 4, 2025: Mateusz Wlazło (CeNT) "Photoinduced charge and energy transfer processes in optically-excited graphene-based nanojunctions"
  • January 14, 2025: Patryk Szymaszek (PK) "Design and synthesis of novel luminescent sensors and their photochemical investigation of their potential suitability for selective and multifunctional application in molecular diagnostics"