Dr. Pavel Hobza is a preeminent physical chemist whose pioneering work has reshaped the understanding of molecular interactions across the global scientific community. He currently holds professorships in physical chemistry at both Charles University in Prague and Palacký University in Olomouc, while serving as Head of the Department of Molecular Modelling at the Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences since 2003. Since 2005, Dr. Hobza has also directed the Research Center for Biomolecules and Complex Molecular Systems, establishing it as a hub for cutting-edge computational chemistry research in Central Europe. His academic foundation was built through chemistry studies at the Czech Technical University in Prague followed by doctoral research at the Institute of Physical Chemistry of the Czechoslovak Academy of Sciences, creating the theoretical groundwork for his future breakthroughs in quantum chemistry.
Dr. Hobza revolutionized chemical bonding theory through his groundbreaking discovery of improper hydrogen bonds, which fundamentally challenged established scientific paradigms when it was widely believed that hydrogen bonding principles were fully understood. His theoretical predictions regarding non-covalent interactions were rapidly confirmed through experimental validation, creating significant impact across chemistry and biochemistry disciplines. His research has profoundly clarified the role of dispersion energy in biomacromolecules while elucidating critical interactions in DNA bases and proteins that underpin molecular recognition processes. With over 450 scientific publications, Dr. Hobza consistently ranks among the most cited chemists globally, appearing in the top one percent of researchers according to Thomson Reuters, and his quantum mechanics-based scoring functions have transformed computer-aided drug design methodologies for targeting diseases including HIV and diabetes.
As the most cited Czech scientist, Dr. Hobza has earned numerous prestigious accolades including the Praemium Academiae award from the Czech Academy of Sciences and recognition as a Fellow of the Royal Society of Chemistry for his exceptional contributions to theoretical chemistry. He actively collaborates with experimental researchers including Professor Radek Zbořil's team at VSB-TUO, combining computational expertise with laboratory validation to advance understanding of non-covalent interactions in both biological and nanomaterial systems. Currently, Dr. Hobza is pioneering new research directions that apply his expertise to materials science, investigating how electronic and spin states of metal-containing organic molecules interact with metallic and carbon-based surfaces using advanced supercomputing resources at IT4Innovations. His ongoing work continues to influence generations of computational chemists worldwide while maintaining his position at the forefront of quantum chemical research, demonstrating how theoretical insights can transform practical applications in drug discovery and materials development.
