Aleksandra Leszczyk

Nicolaus Copernicus University — Poland

Physics and Astronomy · Physical Sciences

6h-index99citations9works12.02yr avg
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Research Topics

Advanced Chemical Physics Studies(6), Radioactive element chemistry and processing(3), Physics of Superconductivity and Magnetism(2), Parallel Computing and Optimization Techniques(2), Catalytic Processes in Materials Science(2)

Publications9 total

Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs
Journal of Chemical Theory and Computation·2024· 12 citedOpen Access
PyBEST: Improved functionality and enhanced performance
Computer Physics Communications·2023· 21 citedOpen Access
Accelerating Pythonic coupled cluster implementations: a comparison between CPUs and GPUs
arXiv (Cornell University)·2023Open Access
Resolving the π-assisted U–N σ<sub>f</sub>-bond formation using quantum information theory
Physical Chemistry Chemical Physics·2022· 13 cited
Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost
Journal of Chemical Theory and Computation·2021· 1 citedOpen Access
Assessing the Accuracy of Tailored Coupled Cluster\nMethods Corrected by Electronic Wave Functions of Polynomial Cost
arXiv (Cornell University)·2021Open Access
Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics
Computer Physics Communications·2021· 36 citedOpen Access
Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions
Physical Chemistry Chemical Physics·2020· 8 cited
New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides
Challenges and advances in computational chemistry and physics·2019· 8 citedOpen Access

Frequent Co-authors

Katharina Bogusławski(9), Paweł Tecmer(7), Dariusz Kędziera(3), Maximilian H. Kriebel(3), Artur Nowak(2), Filip Brzęk(2), Piotr S. Żuchowski(2), Marta Gałyńska(2), Mihály Máté(2), Örs Legeza(2), Rahul Chakraborty(1), Kacper Cieślak(1), Seyedehdelaram Jahani(1), Emil Sujkowski(1), Julian Świerczyński(1), Somayeh Ahmadkhani(1), Tibor Dome(1), Frank Schindler(1)