Scientific achievements
Dr Eng. Agnieszka Krzemińska-Kowalska from the Faculty of Technical Physics, Information Technology and Applied Mathematics at Lodz University of Technology is a specialist in quantum chemistry, electronic structure theory, and computational methods used to study intermolecular interactions, strongly correlated electronic systems, and processes occurring in complex (bio)molecular systems. Her scientific output includes 27 publications in the international scientific community.
Research profile and research directions
Among the main achievements of the researcher is the development of computational methods for studying enzymatic reactions using Quantum Mechanics/Molecular Mechanics (QM/MM) approaches, including analysis of multidimensional potential energy surfaces (PES), enzymatic reaction mechanism studies, and quantitative descriptions of electrostatic and dynamic effects of the entire enzyme that influence catalysis, for example, in the case of HIV-1 enzymes. She co-developed the multi-reference (MC) Symmetry-adapted perturbation theory (SAPT) framework, designed to study excited states and strongly correlated systems, with a focus on visualizing dispersive and electrostatic interactions. During her internship at the University of Geneva, she developed a new Frozen-Density Embedding Theory (FDET) functional that improves the description of the non-additive kinetic potential. The researcher is currently working on the development of bioactive medical implants aimed at reducing infections caused by antibiotic-resistant strains of Staphylococcus aureus, in collaboration with teams from ICRI-BioM and at Brno University of Technology.
Honours and recognition from the scientific community
She has received numerous awards for her scientific activity, including the Löwdin Postdoctoral Associate Award in the United States (2022), the Graduate Student Poster Award at the TheoBio conference in Italy (2015), and the title of Person of the Year for the Łódzkie Voivodeship 2025 in the Science category. Her scientific career is characterized by consistent development, interdisciplinarity, and strong engagement in international research collaboration, making her a recognized representative of the younger generation of Polish researchers in the field of quantum and computational chemistry.
Dr Eng. Agnieszka Krzemińska-Kowalska holds important roles in the international scientific environment. In 2025, she became the leader of a task force within COST Action COSY, where she is responsible for the SAPT variants development and application.