Picture of Dr. Tibor Szilvási

Assistant Professor

Chemical and Biological Engineering

3478 Science and Engineering Complex
 (205) 348-1741
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  • Ph.D., Chemistry, Budapest University of Technology and Economics, Hungary, EU, 2016
  • M.Sc., Chemical Engineering, Budapest University of Technology and Economics, Hungary, EU, 2011
  • B.Sc., Chemical Engineering, Budapest University of Technology and Economics, Hungary, EU, 2009


Dr. Tibor Szilvási’s research group focuses on the design of functional materials with well-tailored specific properties by applying computational methods.

Societal needs require to develop efficient and cheap functional materials for various technologies. The Szilvási group is committed to accelerate the development of new materials by using fast and accurate computational methods to screen potential candidates and pinpoint materials with desired properties. Using computational methods, we can potentially save millions of dollars and years of tedious experimental efforts and therefore can provide solution for pressing problems in time.

Dr. Szilvási’s research group aims to focus on engineering interfaces and molecular materials. Specifically, we intend (i) to optimize catalysts relevant for industrial processes, (ii) to identify functional materials for soft matter applications, (iii) to design complex interfaces for energy and sensor applications. To achieve our goals, we also develop computational methods and protocols that can provide more accurate predictions for material design.

Honors and Awards

  • Selected participant of the 129th BASF Summer School, 2015
  • BME Research Award, 1st prize, 2011
  • North Rhine-Westphalia German Young Scientist Award in Chemistry, 2011

Areas of Research

Latest Publications

  • “A Bis(silylene)-Stabilized Diphosphorus Compound and Its Reactivity as a Monophosphorus Anion Transfer Reagent”, Y. Wang, T. Szilvási, S. Yao, M. Driess, Nature Chemistry, 12, 801 (2020).
  • “Identification of Stable Adsorption Sites and Diffusion Paths on Nanocluster Surfaces: an Automated Scanning Algorithm”, T. Szilvási, B. W. C. Chen, M. Mavrikakis, npj Computational Materials, 101 (2019).
  • “Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas”, T. Szilvási, N. Bao, K. Nayani, H. Yu, P. Rai, R. J. Twieg, M. Mavrikakis, N. L. Abbott, Angew. Chem. Int. Ed., 57, 9665 (2018).