Csaba Fábri
Laboratory of Molecular Structure and Dynamics
Institute of Chemistry
Eötvös Loránd University
Pázmány Péter sétány 1/A
H-1117 Budapest, Hungary
Office: 529 (Chemistry Building)
Email: fabrics2 at gmail.com or ficsaba at caesar.elte.hu
Education and employment
2016 - Research associate, Eötvös Loránd University
2013 - 2016 Postdoctoral research associate, ETH Zürich
Group of Prof. Martin Quack (http://www.ir.ethz.ch)
2011 - 2013 ChemAxon Ltd (www.chemaxon.com)
Development of NMR and aequous solubility predictors
2009 - 2013 PhD in Theoretical Chemistry, Eötvös Loránd University
Group of Prof. Attila G. Császár (lmsd.chem.elte.hu)
PhD Thesis: Quantum chemical computation and characterization of rotational-vibrational states of semirigid and flexible polyatomic molecules
2004 - 2009 MSc in Chemistry, Eötvös Loránd University
Supervisor: Prof. Attila G. Császár
MSc Thesis: Adalékok molekulák rezgési-forgási színképének számításához (in Hungarian)
Short research projects
01/2016 - 01/2016 MTA-ELTE Complex Chemical Systems Research Group, Budapest, Hungary (COST Short Term Scientific Mission)
Host: Prof. Attila G. Császár
Efficient exploitation of molecular symmetry in variational rotational-vibrational computations and applications to fluxional molecular systems (2 weeks)
10/2010 - 11/2010 Center for Computational Chemistry, Athens, GA, USA
Host: Prof. Wesley D. Allen
Research topic: Variational and VPT2 computation of zero-point vibrational energies (3 weeks)
Research articles
  • A combined Gigahertz and Terahertz (FTIR) spectroscopic investigation of meta-D-phenol: Observation of tunneling switching,
    S. Albert, Z. Chen, C. Fábri, P. Lerch, R. Prentner, M. Quack, Mol. Phys., 114, 2751 (2016).
  • Synchrotron-based Highest Resolution Terahertz Spectroscopy of the ν24 Band System of 1,2-Dithiine (C4H4S2),
    S. Albert, F. Arn, I. Bolotova, Z. Chen, C. Fábri, G. Grassi, P. Lerch, M. Quack, G. Seyfang, A. Wokaun, D. Zindel, J. Phys. Chem. Lett., 7, 3847 (2016).
  • High resolution GHz and THz (FTIR) spectroscopy and theory of parity violation and tunneling for 1,2-dithiine (C4H4S2) as a candidate for measuring the parity violating energy difference between enantiomers of chiral molecules,
    S. Albert, I. Bolotova, Z. Chen, C. Fábri, M. Quack, G. Seyfang, D. Zindel, Phys. Chem. Chem. Phys., 18, 21976 (2016).
  • Tunneling and Parity Violation in Trisulfane (HSSSH): An Almost Ideal Molecule for Detecting Parity Violation in Chiral Molecules,
    C. Fábri, L. Horny, M. Quack, ChemPhysChem, 16, 3584 (2015).
  • Modelling Rotations, Vibrations, and Rovibrational Couplings in Astructural Molecules – A Case Study Based on the H5+ Molecular Ion,
    J. Sarka, C. Fábri, T. Szidarovszky, A. G. Császár, Z. Lin, A. B. McCoy, Mol. Phys., 113, 1873 (2015).
  • A hybrid variational-perturbational nuclear motion algorithm,
    C. Fábri, T. Furtenbacher, and A. G. Császár, Mol. Phys., 112(18), 2462 (2014).
  • Communication: Rigidity of the Molecular Ion H5+,
    C. Fábri, J. Sarka, and A. G. Császár, J. Chem. Phys., 140, 051101 (2014).
  • Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunnelling of ammonia,
    C. Fábri, E. Mátyus, and A. G. Császár, Spectrochim. Acta A, 119, 84 (2014).
  • Analysis of the Rotational-Vibrational States of the Molecular Ion H3+,
    T. Furtenbacher, T. Szidarovszky, E. Mátyus, C. Fábri, and A. G. Császár, J. Chem. Theory Comput., 9, 5471, (2013).
  • MARVEL Analysis of the Rotational-Vibrational States of the Molecular Ions H2D+ and D2H+,
    T. Furtenbacher, T. Szidarovszky, C. Fábri, and A. G. Császár, Phys. Chem. Chem. Phys., 15, 10181, (2013).
  • Reduced-Dimensional Quantum Computations for the Rotational-Vibrational Dynamics of F--CH4 and F--CH2D2,
    C. Fábri, A. G. Császár, and G. Czakó, J. Phys. Chem. A, 117(32), 6975, (2013).
  • IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part III. Energy Levels and Transition Wavenumbers for H216O,
    J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, A. G. Császár, L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L. Polyansky, L. S. Rothman, A. C. Vandaele, N. F. Zobov, A. R. Al Derzi, I. I. Mizus, C. Fábri, A. Z. Fazliev, T. Furtenbacher, I. F. Gordon, and L. Lodi, J. Quant. Spectr. Rad. Transfer, 117, 29, (2013).
  • Temperature-Dependent, Effective Structures of the 14NH3 and 14ND3 Molecules,
    I. Szabó, C. Fábri, G. Czakó, E. Mátyus, and A. G. Császár, J. Phys. Chem., 116(17), 4356-4362, (2012).
  • The Role of Axis Embedding on Rigid Rotor Decomposition (RRD) Analysis of Variational Rovibrational Wave Functions,
    T. Szidarovszky, C. Fábri, and A. G. Császár, J. Chem. Phys., 136, 174112, (2012).
  • The Fourth Age of Quantum Chemistry: Molecules in Motion,
    A. G. Császár, C. Fábri, T. Szidarovszky, E. Mátyus, T. Furtenbacher, and G. Czakó, Phys. Chem. Chem. Phys., 14(3), 1085-1106, (2012).
  • Variational Quantum Mechanical and Active Database Approaches to the Rotational-Vibrational Spectroscopy of Ketene,
    C. Fábri, E. Mátyus, T. Furtenbacher, B. Mihály, T. Zoltáni, L. Nemes, and A. G. Császár, J. Chem. Phys., 135, 094307, (2011).
  • Rotating Full- and Reduced-Dimensional Quantum Chemical Models of Molecules,
    C. Fábri, E. Mátyus, and A. G. Császár, J. Chem. Phys., 134, 074105, (2011).
  • Gas-Phase and Ar-Matrix SQM Scaling Factors for Various DFT Functionals with Basis Sets Including Polarization and Diffuse Functions,
    C. Fábri, T. Szidarovszky, G. Magyarfalvi, and Gy. Tarczay, J. Phys. Chem. A, 115 (18), 4640-4649, (2011).
  • Assigning Quantum Labels to Variationally Computed Rotational-Vibrational Eigenstates of Polyatomic Molecules,
    E. Mátyus, C. Fábri, T. Szidarovszky, G. Czakó, W. D. Allen, and A. G. Császár, J. Chem. Phys., 133, 034113, (2010).
  • Adiabatic Jacobi Corrections on the Vibrational Energy Levels of H2+ Isotopologues,
    C. Fábri, G. Czakó, G. Tasi, and A. G. Császár, J. Chem. Phys., 130, 134314, (2009).

Teaching activity
  • Mathematics seminar for chemistry students
  • Quantum mechanics seminar for chemistry students
  • Reaction kinetics seminar for chemistry students
  • Advanced quantum chemistry seminar for chemistry students

Awards, prizes, fellowships
Scholarship of the Hungarian Republic 2006/2007, 2007/2008, 2008/2009, ''Excellent student of the Faculty'' (Faculty of Sciences, Eötvös Lóránd University, 2007),