Welcome to the Svatunek Lab @ TU Wien
We are a research group at TU Wien, Institute of Applied Synthetic Chemistry, working at the interface of computational chemistry, physical organic chemistry, and chemical biology. Our mission is to develop new concepts, methods, and tools that enable the design and understanding of chemical reactivity, from bioorthogonal reactions to machine learning–driven discovery.
Teaching Resources
We maintain a teaching portal with course information and materials developed within the Svatunek Lab.
Research
Bioorthogonal Chemistry
Reactions that work in living systems without interfering with biology.
Reaction Mechanisms
Unraveling reaction mechanisms, providing insight.
Energy Decomposition Analysis
Understanding reactivity and selectivity in depth.
CompChem Tools
Better tools for better computational chemistry.
ChemView (Beta)
Our own output file viewer for computational chemistry, currently in beta.
Latest Publications
S. Biswas, A. Löffler, P. Bansal, R.T. Peterson, D. Svatunek, R.M. Franzini*
Combined Inductive and Dispersion Effects Enhance Bioorthogonal Reactivity of Tetrazines Toward IsonitrilesI.V.J. Feiner, D. Svatunek, M. Pressler, T. Demuth, X. Guarrochena, J.H. Sterba, S. Dorudi, C. Pichler, C. Denk, T.L. Mindt*
Towards DFO*12—Preliminary Results of a New Chelator for the Complexation of Actinium-225J. van Herck, M.V. Gil, K.M. Jablonka, A. Abrudan, A. Anker, M. Asgari, B. Blaiszik, L. Choudhury, C. Corminboeuf, H. Daglar, I.T. Foster, S. Garcia, M. Garvin, G. Godin, L.L. Good, J. Gu, N.X. Hu, X. Jin, T. Junkers, S. Keskin, T.P.J. Knowles, R. Laplaza, S. Majumdar, H. Mashhadimoslem, R.D. McIntosh, S.M. Moosavi, B. Mourino, F. Nerli, C. Pevida, N. Poudineh, M. Rajabi-Kochi, K.L. Saar, F.H. Saboor, M. Sagharichiha, K.J. Schmidt, J. Shi, D. Svatunek, M. Taddei, I. Tetko, D. Tolnai, S. Vahdatifar, J. Whitmer, F. Wieland, R. Willumeit-Romer, A. Zuttel, B. Smit*
Assessment of Fine-Tuned Large Language Models for Real-World Chemistry and Material Science ApplicationsNews
Lab Compute Usage
Stats since August 11th 2025
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