Topology and quantum chemistry

Selected publications related to this project:

• 2023 Topological data analysis of vortices in the magnetically-induced current density in LiH molecule, M. Olejniczak, J. Tierny, Phys. Chem. Chem. Phys. 25, 5942 (2023)

• 2019 A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations, M. Olejniczak, A. Severo Pereira Gomes, J. Tierny, Int. J. Quantum Chem., Int. J. Quantum Chem. 120 (8), e26133 (2019)

Project funded by the National Science Center, grant number 2020/38/E/ST4/00614