Katharina Boguslawski

32PUBLICATIONS
23CO-AUTHORS
Theoretical quantum chemistryAtomic and molecular physicsProcedural content generationNavigation and position fixingComputational logic and formal languages
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Publications (32)

|Sep 24, 2026
EOM-fpCCSD: an accurate alternative to EOM-CCSD for doubly excited and charge-transfer states.

|Aug 08, 2026
From Dipeptide Systems to Polypeptides: Evolution of Mutual Information.

|Jul 02, 2026
Efficient Coupled-Cluster Python Frameworks for Next-Generation GPUs: A Comparative Study of CuPy and PyTorch on the Hopper and Grace Hopper Architecture.

|Jun 15, 2026
Analytic gradients and geometry optimization for orbital-optimized pair coupled cluster doubles.

|May 22, 2026
A Flexible, Automated, and Basis-Set-Insensitive Domain-Based Charge-Transfer Decomposition for Correlated Wave Functions and Its Application to Inter- and Intramolecular Cases.

|Mar 13, 2026
Ionization Potentials at Mean-Field Computational Cost: The Extended Koopmans' Framework for pCCD.

Seyedehdelaram Jahani, Katharina Boguslawski, Paweł Tecmer

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Frequent Collaborators

21 joint publications

Paweł Tecmer

4 joint publications

Marta Gałyńska

3 joint publications

Somayeh Ahmadkhani

3 joint publications

Matheus Morato F de Moraes