Staff profile
Dr Filip Szczypinski
Royal Society University Research Fellow
Affiliation | Telephone |
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Royal Society University Research Fellow in the Department of Chemistry |
Biography
Filip Szczypiński is a Royal Society University Research Fellow and Assistant Professor of Chemistry Automation, having joined Durham University in 2025. His research combines laboratory automation, high-throughput experimentation, and data-driven methods to accelerate the discovery and development of functional molecules and materials, with a focus on supramolecular and physical organic chemistry.
Dr Szczypiński's research background spans synthetic chemistry, computational modelling, and laboratory automation. He began at the University of Cambridge, where he obtained a degree in Natural Sciences. His final-year project with Prof. Jonathan Nitschke explored the synthesis of large metal-organic cages and their application in guest encapsulation. He remained at Cambridge for his PhD, working with Prof. Chris Hunter FRS on the design and synthesis of sequence-defined oligoesters capable of molecular recognition via programmed hydrogen-bonding interactions.
His postdoctoral work further broadened his expertise. At Imperial College London, he worked with Prof. Kim Jelfs on the computational prediction of porous molecular materials, focusing on bridging computational design with experimental practicality. He then joined the group of Prof. Andy Cooper FRS at the University of Liverpool as a senior PDRA, contributing to the development of autonomous, robot-assisted experimental platforms for chemical synthesis, integrating automated synthesis with NMR and LC-MS analysis. He contributed to the development of autonomous robotic platforms for exploratory chemical synthesis, moving beyond reaction optimisation to the discovery of unknown molecules.
Opportunities
Filip is committed to fostering a supportive and productive research environment. He welcomes informal inquiries from prospective PhD students and postdoctoral researchers interested in digital supramolecular chemistry, including synthesis, cheminformatics, and automation.
Research summary
My research program integrates computational methods and laboratory automation to advance the field of supramolecular chemistry, with a particular focus on the design and synthesis of novel functional molecules and materials. By strategically combining computational design with experimental synthesis, we accelerate the discovery process and strive for a more efficient, targeted, and ultimately, predictive approach to chemical research.
Digital Supramolecular Chemistry
Dynamic covalent chemistry and self-assembly uses dynamic covalent bonds (such as imines, disulfides, and boronic esters) to create adaptable and responsive molecular assemblies. Because this approach allows for the reversible formation and breaking of covalent bonds under thermodynamic control, we can design sophisticated structures for a wide range of applications, from gas storage and separation to chemical sensing and controlled release. A central theme of our work is the computer-aided design of supramolecular systems. We develop and apply advanced computational techniques, from classical and quantum methods to machine learning and cheminformatics, to model the complex behaviour of dynamic combinatorial libraries.
Molecular Recognition and Supramolecular Catalysis
A significant thrust of our research involves molecular recognition and supramolecular catalysis. We design and synthesise molecules that can selectively bind guest molecules with high affinity, drawing inspiration from the intricate workings of biological enzymes. Through this process, we are pursuing a deeper understanding of enzyme-like behaviour, aiming to create artificial receptors that can not only bind specific targets but also catalyse reactions and tune reaction rates and selectivities. This effort is directed towards the development of effective and selective supramolecular catalysts, with applications in sustainable chemical synthesis and beyond.
Automation for Supramolecular and Physical Organic Chemistry
Another critical aspect is the development and application of automated synthesis and high-throughput experimentation. We are actively integrating laboratory automation as a core element of our chemical research, enabling a more efficient and thorough exploration of complex chemical reactions. This is achieved through the strategic use of advanced robotic platforms for automated synthesis, reaction screening, and characterisation. We combine state-of-the-art liquid handling systems, analytical techniques (such as NMR and LC-MS), and intelligent feedback control mechanisms, creating highly efficient and reproducible workflows for chemical discovery.
Societal impact
Our work contributes to several UN Sustainable Development Goals, including Goal 7: Affordable and Clean Energy (through the development of new materials for energy storage and conversion), Goal 9: Industry, Innovation, and Infrastructure (by advancing chemical synthesis and materials discovery), Goal 12: Responsible Consumption and Production (by creating more efficient and sustainable chemical processes), and Goal 13: Climate Action (by enabling the development of technologies for carbon capture and utilisation).
Research interests
- Supramolecular chemistry
- Physical organic chemistry
- Chemistry automation
- Cheminformatics and ML
Publications
Journal Article
- Scholes, A. M., Cook, L. J. K., Szczypiński, F. T., Luzyanin, K. V., Egleston, B. D., Greenaway, R. L., & Slater, A. G. (2024). Dynamic and Solid-State Behaviour of Bromoisotrianglimine. Chemical Science, 15(35), 14254-14263. https://doi.org/10.1039/D4SC04207G
- Shields, C. E., Fellowes, T., Slater, A. G., Cooper, A., Andrews, K. G., & Szczypiński, F. T. (2024). Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation. Chemical Communications, 60(47), 6023-6026. https://doi.org/10.1039/d4cc01407c
- Yuan, Q., Szczypiński, F. T., & Jelfs, K. E. (2022). Explainable Graph Neural Networks for Organic Cages. Digital Discovery, 1(2), 127-138. https://doi.org/10.1039/D1DD00039J
- Bennett, S., Szczypiński, F. T., Turcani, L., Briggs, M. E., Greenaway, R. L., & Jelfs, K. E. (2021). Materials Precursor Score: Modeling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors. Journal of Chemical Information and Modeling, 61(9), 4342-4356. https://doi.org/10.1021/acs.jcim.1c00375
- Turcani, L., Tarzia, A., Szczypiński, F. T., & Jelfs, K. E. (2021). stk: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery. The Journal of Chemical Physics, 154(21), Article 214102. https://doi.org/10.1063/5.0049708
- Szczypiński, F. T., Bennett, S., & Jelfs, K. E. (2021). Can We Predict Materials That Can Be Synthesised?. Chemical Science, 12(3), 830-840. https://doi.org/10.1039/D0SC04321D
- Abet, V., Szczypiński, F. T., Little, M. A., Santolini, V., Jones, C. D., Evans, R., Wilson, C., Wu, X., Thorne, M. F., Bennison, M. J., Cui, P., Cooper, A. I., Jelfs, K. E., & Slater, A. G. (2020). Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity. Angewandte Chemie International Edition, 59(38), 16755-16763. https://doi.org/10.1002/anie.202007571
- Greenaway, R. L., Santolini, V., Szczypiński, F. T., Bennison, M. J., Little, M. A., Marsh, A., Jelfs, K. E., & Cooper, A. I. (2020). Organic Cage Dumbbells. Chemistry - A European Journal, 26(17), 3718-3722. https://doi.org/10.1002/chem.201905623
- Szczypiński, F. T., & Hunter, C. A. (2019). Building blocks for recognition-encoded oligoesters that form H-bonded duplexes. Chemical Science, 10(8), 2444-2451. https://doi.org/10.1039/c8sc04896g
- Szczypiński, F. T., Gabrielli, L., & Hunter, C. A. (2019). Emergent Supramolecular Assembly Properties of a Recognition-Encoded Oligoester. Chemical Science, 10, 5397-5404. https://doi.org/10.1039/C9SC01669D
- Seiple, I. B., Zhang, Z., Jakubec, P., Langlois-Mercier, A., Wright, P. M., Hog, D. T., Yabu, K., Rao Allu, S., Fukuzaki, T., Carlsen, P. N., Kitamura, Y., Zhou, X., Condakes, M. L., Szczypiński, F. T., Green, W. D., & Myers, A. G. (2016). A Platform for the Discovery of New Macrolide Antibiotics. Nature, 533, 338-345. https://doi.org/10.1038/nature17967
- Ramsay, W. J., Szczypiński, F. T., Weissman, H., Ronson, T. K., Smulders, M. M., Rybtchinski, B., & Nitschke, J. R. (2015). Designed enclosure enables guest binding within the 4200 Å3 cavity of a self-assembled cube. Angewandte Chemie International Edition, 54(19), 5636-5640. https://doi.org/10.1002/anie.201501892