István Szabó
King's College London
Department of Chemistry
7 Trinity Street
SE1 1DB, London
United Kingdom
Office: 114 (Britannia House)
Phone: +44 7491814911
Email: istvan.szabo at kcl.ac.uk
csoport
Degrees and Positions
2016- Research Associate, Department of Chemistry, King's College London, London, United Kingdom
2015-2016 Research Assistant, Institute of Chemistry, University of Szeged, Szeged, Hungary
Education
2012-2016 PhD in Chemistry, Eötvös University, Hungary
Supervisors: Prof. Gábor Czakó and Prof. Attila G. Császár
PhD Thesis: Dynamics of bimolecular nucleophilic substitution and proton-transfer reactions on global ab initio potential energy surfaces
2010-2012 MSc in Chemistry, Eötvös University, Hungary
Specialized in Structural Chemistry and Computational Chemistry
Supervisor: Prof. Attila G. Császár
MSc Thesis: Variational computation of (ro)vibrational intensities
Research Projects
10/2016-Present University of Cambridge, United Kingdom
Nano-Optics to controlled Nano-Chemistry project
NanoPhotonics Centre & Melville Laboratory for Polymer Synthesis
07/2016-Present King's College London, London, United Kingdom
Group of Dr. Edina Rosta
Rosta Research Group
09/2015-07/2016 University of Szeged, Szeged, Hungary
Group of Prof. Gábor Czakó
Computational Reaction Dynamics Research Group
02/2014-08/2015 University College London, London, United Kingdom
Group of Prof. Jonathan Tennyson
ExoMol project: Ro-vibronic energy levels of the C2 molecule
07/2012-08/2012 University College London, London, United Kingdom
Group of Prof. Jonathan Tennyson
ExoMol project: Electronic transitions of the C2 molecule
08/2010-08/2015 Eötvös University, Budapest, Hungary
Group of Prof. Attila G. Császár
Laboratory of Molecular Structure and Dynamics (LMSD)
Research Articles Upcoming Events
  • SurfCat Summer School on "The Science of Sustainable Fuels and Chemicals"
  • Kysthusene, Gilleleje, Denmark, August 2018
  • 22nd International Mass Spectrometry Conference
  • Italian Chemical Society, Florence, Italy, August 2018
Posters, Talks and Workshops
  • Erice School: Exploring and Quantifying Rough Free Energy Landscapes
  • Ettore Majorana Foundation and Centre for Scientific Culture, Erice, Italy, May 2018
  • Schrödinger Workshop: What Quantum Chemistry can do for your Drug Discovery Project
  • Tamburlaine Hotel, Cambridge, UK, 2018
  • 5th CCPBioSim Conference: Frontiers of Biomolecular Simulation
  • CCPBioSim, Southampton, UK, 2017
  • I. Szabó: Towards the computation of free energy profiles and rates using non-traditional reaction coordinates
  • Research seminar, Department of Chemistry, King's College London, UK, 2017
  • Free Energy Calculations from Molecular Simulation: Applications in Life and Medical Sciences
  • CompBioMed and BioExcel, Chandler House, London, UK, 2017
  • MD in Pharma Conference
  • Molecular Graphics and Modelling Society, SOAS, University of London, UK, 2017
  • I. Szabó, B. de Nijs, S. Barrow, E. Rosta, J. J. Baumberg and O. A. Scherman: Gas sensing with cucurbit[5]uril
  • NOtCH Symposium, Cavendish Laboratory, University of Cambridge, UK, 2017
  • I. Szabó, G. di Martino, E. Rosta and J. J. Baumberg: Simulated Raman spectra of Au-BPT in electric field
  • NOtCH Meeting, Department of Chemistry, University of Cambridge, UK, 2016
  • Free Energy Calculation and Molecular Kinetics Workshop
  • CCPBioSim, King's College London, UK, 2016
  • M. Stei, E. Carrascosa, J. Meyer, T. Michaelsen, B. Bastian, M. A. Kainz, A. H. Kelkar, I. Szabó, G. Czakó, and R. Wester: Imaging the complex influence of the leaving group on nucleophilic substitution reactions,
  • European Conference on the Dynamics of Molecular Systems, Toledo, Spain, 2016
  • M. Stei, E. Carrascosa, J. Meyer, T. Michaelsen, B. Bastian, M. A. Kainz, A. H. Kelkar, I. Szabó, G. Czakó, and R. Wester: Imaging the complex influence of the leaving group on nucleophilic substitution reactions,
  • 12th European Conference on Atoms Molecules and Photons, Frankfurt, Germany, 2016
  • ADF ReaxFF Workshop,
    NSCCS, Imperial College London, UK, 2016
  • Schrödinger Workshop on Screening and Optimization of Optoelectronic Materials,
    NSCCS, Imperial College London, UK, 2016
  • M. Stei, E. Carrascosa, M. A. Kainz, A. H. Kelkar, I. Szabó, G. Czakó, A. Dörfler, T. Michaelsen, J. Meyer, R. Wester: Imaging the influence of the leaving group and of vibrational excitation on SN2 reactions,
    XXV Dynamics of Molecular Collisions Meeting, Asilomar, United States of America, 2015
  • I. Szabó: Retention mechanisms for the F- + CH3Cl SN2 reaction,
    AMMB Conference of the Hungarian Academy of Sciences, Mátrafüred, Hungary, 2015
  • I. Szabó: SN2 reactions without inversion?
    Group Seminar, Laboratory of Molecular Structure and Dynamics, Eötvös University, Budapest, Hungary, 2014
  • I. Szabó: Atomistic insight into the dynamics of SN2 reactions
    ExoMol Short Talk, University College London, London, United Kingdom, 2014
  • I. Szabó, S. N. Yurchenko, J. Tennyson, A. G. Császár, T. W. Scmidt, G. B. Bacskay: Accurate (ro)vibronic energy levels of the C2 molecule,
    High Resolution Molecular Spectroscopy 2013, Budapest, Hungary
  • S. N. Yurchenko, J. Tennyson, I. Szabó, T. W. Scmidt, G. B. Bacskay, A. Stolyarov: High level ab initio study of the electronic interactions between eight lowest electronic states of the C2 radical,
    22nd International Conference on High Resolution Molecular Spectroscopy, Prague, Czech-Republic, 2012
  • Detailed chemical kinetic models for cleaner combustion
    COST International Spring School, Karlsruhe Institute of Technology, Karlsruhe, Germany, 2012
Memberships
  • Biochemical Society
  • Thomas Young Centre
  • London Structural Biology Club
  • Molecular Graphics and Modelling Society

Awards, prizes and Fellowships
  • 2017: EPSRC Postdoctoral Fellowship, University of Cambridge, UK
  • 2016: EPSRC Postdoctoral Fellowship, King's College London, UK
  • 2014: Campus Hungary Scholarship for Professional Practice
  • 2012-2015: PhD National Grant, Hungarian Ministry of Education and Culture
  • 2011: Faculty Excellence Award, Faculty of Sciences, Eötvös University
  • 2011-2012: Scholarship of the Hungarian Republic
  • 2011: National Competition of Research Students, 2nd place
  • 2010: Prize of the Forerunner Federation, USA
  • 2009: Eötvös Competition of Research Students, 2nd place