Dr. Agnieszka Krzemińska is an Assistant Professor at the Institute of Physics, Lodz University of Technology, and a member of the Quantum Chemistry Group. Her research expertise focuses on developing ab initio quantum chemistry methods for studying multireference systems in their ground and excited states. She is particularly interested in changes in interaction energies upon excitation and their decomposition within the SAPT framework. Dr. Krzemińska dedicates her efforts to providing a qualitative and quantitative description of excitation phenomena, complemented by code development for spatial visualization of key energy terms, such as dispersion.

Within the COST Action CA21101 “Confined Molecular Systems: from the new generation of materials to the stars” (COSY she is an active member of Working Group 1 and holds the SAPT Task Force-Group Leader position.

For an updated list of publications visit the ORCID profile: 0000-0003-3250-4193

Selected publications:

1. Hapka, M. et al. (2023) “Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions,” The Journal of Physical Chemistry Letters. American Chemical Society (ACS). https://doi.org/10.1021/acs.jpclett.3c01568.
2. Krzemińska, A. et al. (2024) “Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study,” The Journal of Physical Chemistry A. American Chemical Society (ACS). https://doi.org/10.1021/acs.jpca.4c04928.
3. Krupka, K.M., et al. (2024) “A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu3 adsorption on benzene/coronene,” RSC Advances. Royal Society of Chemistry (RSC). https://doi.org/10.1039/d4ra05401f.