Research interest

Quantum and computetional chemistry, structure and dynamics of molecular and biomolecular systems, hydrogen bond and improper hydrogen bond, relativistic effects in organic molecules, excited states.


Czech Senate Silver medal.


Vice-chairman of The Learned Society of the Czech Republic.


De scientia et humanitate optime meritis, AS CR.

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1976 - 1979

Ph.D. (CSc.) in physical chemistry, under R. Zahradník at the Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, Prague.

1969 - 1975

RNDr. degree in physical chemistry, under supervision of P. Hobza at the Charles University, Prague.

since 2017

Vice President, Academy Council of Czech Academy of Sciences, Prague.

cince 2012

Honorary Chair, Institute of Organic Chemistry and Biochemistry AS CR, Prague.


Member of Government Office for Science, Research and Innovations, Czech Republic, Prague.

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Other sources

Latest publications

Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
Chemistry of Materials 35 (3): 1373–1386 (2023)
Tribute to Josef Michl
Journal of Physical Chemistry A 125 (9): 1801 (2021)
Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives
Journal of Physical Chemistry C 124 (1): 60-69 (2020)