Scientific achievements
Professor Katarzyna Pernal from the Faculty of Technical Physics, Computer Science, and Applied Mathematics at Lodz University of Technology is an outstanding specialist in quantum chemistry and theoretical physics, focusing on developing methods to describe the electronic structure of molecular and material systems. Her scientific output includes 127 journal publications listed in the JCR and chapters in monographs dedicated to density functional theory methods and reduced density matrices. She is recognized as one of the most important representatives of Polish theoretical chemistry with international recognition.
Research profile and research directions
Her scientific interests center on density functional theory, density matrix theory, and computational methods that enable more accurate descriptions of electron correlation, intermolecular interactions, and excited states, offering an alternative to costly wavefunction-based calculations involving multiple electrons. Professor Pernal developed the first class of reduced-density-matrix functionals designed to describe multi-configurational systems and introduced a new paradigm for determining dynamic correlation energy in multi-reference theories using the adiabatic connection formalism. She also developed the only existing SAPT theory capable of describing intermolecular interactions in systems with local excitons. These methods have opened new avenues in the development of global quantum chemistry and are utilized in the study of complex molecular and material systems. She participated in the Horizon 2020 TREX project and is currently leading the OPUS LAP project carried out in collaboration with the Czech Academy of Sciences.
Honours and recognition from the scientific community
Professor Pernal holds important roles in international scientific bodies. She is a member of the Editorial Board of the journal Physical Review Letters. Professor Pernal was invited to join a group of 70 leading global experts in theoretical chemistry, condensed matter physics, and materials science to co-author a review and perspective paper dedicated to density functional theory — one of the most important methods in modern computational chemistry and physics.
She is a recipient of the International Academy of Quantum Molecular Science Medal — one of the most prestigious awards in quantum chemistry and molecular physics, awarded to only one person worldwide each year. She was also nominated for the Heisenberg Award for outstanding scientific achievements. Her position is further confirmed by her leadership of research at PŁ within the TREX Centre of Excellence. Professor Pernal is also a corresponding member of the Polish Academy of Sciences.