Katharina Boguslawski

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Chemical communications (Cambridge, England)

Nicolaus Copernicus University in Toruń

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Nicolaus Copernicus University in Toruń Oct 01 2019

Poland

Associate Professor :: Institute of Physics, Faculty of Physics, Astronomy and Informatics

Publications

Rahul Chakraborty, Matheus Morato Ferreira de Moraes, Katharina Boguslawski, Artur Nowak, Julian Świerczyński, Paweł Tecmer
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation. Journal of chemical theory and computation 20 (11) (2024)
Marta Gałyńska, Katharina Boguslawski
Benchmarking Ionization Potentials from pCCD Tailored Coupled Cluster Models. Journal of chemical theory and computation 20 (10) (2024)
Marta Gałyńska, Matheus Morato Ferreira de Moraes, Paweł Tecmer, Katharina Boguslawski
Delving into the catalytic mechanism of molybdenum cofactors: a novel coupled cluster study. Physical chemistry chemical physics : PCCP 26 (27) (2024)
Maximilian H Kriebel, Paweł Tecmer, Marta Gałyńska, Aleksandra Leszczyk, Katharina Boguslawski
Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs. Journal of chemical theory and computation (2024)
Marta Gałyńska, Katharina Boguslawski
Benchmarking Ionization Potentials from pCCD Tailored Coupled Cluster Models. Journal of chemical theory and computation 20 (10) (2024)
Maximilian H Kriebel, Paweł Tecmer, Marta Gałyńska, Aleksandra Leszczyk, Katharina Boguslawski
Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs. Journal of chemical theory and computation 20 (3) (2024)
Rahul Chakraborty, Matheus Morato Ferreira de Moraes, Katharina Boguslawski, Artur Nowak, Julian Świerczyński, Paweł Tecmer
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation. Journal of chemical theory and computation 20 (11) (2024)
Maximilian H Kriebel, Paweł Tecmer, Marta Gałyńska, Aleksandra Leszczyk, Katharina Boguslawski
Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs. Journal of chemical theory and computation 20 (3) (2024)
Rahul Chakraborty, Matheus Morato Ferreira de Moraes, Katharina Boguslawski, Artur Nowak, Julian Świerczyński, Paweł Tecmer
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation. Journal of chemical theory and computation (2024)
Marta Gałyńska, Matheus Morato Ferreira de Moraes, Paweł Tecmer, Katharina Boguslawski
Delving into the catalytic mechanism of molybdenum cofactors: a novel coupled cluster study. Physical chemistry chemical physics : PCCP (2024)
Marta Gałyńska, Katharina Boguslawski
Benchmarking Ionization Potentials from pCCD Tailored Coupled Cluster Models. Journal of chemical theory and computation 20 (10) (2024)
Marta Gałyńska, Katharina Boguslawski
Benchmarking Ionization Potentials from pCCD Tailored Coupled Cluster Models. Journal of chemical theory and computation (2024)
Maximilian H Kriebel, Paweł Tecmer, Marta Gałyńska, Aleksandra Leszczyk, Katharina Boguslawski
Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs. Journal of chemical theory and computation 20 (3) (2024)
Rahul Chakraborty, Matheus Morato Ferreira de Moraes, Katharina Boguslawski, Artur Nowak, Julian Świerczyński, Paweł Tecmer
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation. Journal of chemical theory and computation 20 (11) (2024)
Rahul Chakraborty, Katharina Boguslawski, Paweł Tecmer
Static embedding with pair coupled cluster doubles based methods. Physical chemistry chemical physics : PCCP (2023)
Paweł Tecmer, Marta Gałyńska, Lena Szczuczko, Katharina Boguslawski
Geminal-Based Strategies for Modeling Large Building Blocks of Organic Electronic Materials. The journal of physical chemistry letters (2023)
Artur Nowak, Katharina Boguslawski
A configuration interaction correction on top of pair coupled cluster doubles. Physical chemistry chemical physics : PCCP 25 (10) (2023)
Seyedehdelaram Jahani, Katharina Boguslawski, Paweł Tecmer
The relationship between structure and excited-state properties in polyanilines from geminal-based methods. RSC advances 13 (40) (2023)
Saddem Mamache, Marta Gałyńska, Katharina Boguslawski
Benchmarking ionization potentials using the simple pCCD model. Physical chemistry chemical physics : PCCP (2023)
Artur Nowak, Katharina Boguslawski
A configuration interaction correction on top of pair coupled cluster doubles. Physical chemistry chemical physics : PCCP (2023)
Aleksandra Leszczyk, Tibor Dome, Paweł Tecmer, Dariusz Kedziera, Katharina Boguslawski
Resolving the π-assisted U-N σ f -bond formation using quantum information theory. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Paweł Tecmer, Katharina Boguslawski
Geminal-based electronic structure methods in quantum chemistry. Toward a geminal model chemistry. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Katharina Boguslawski
Open-shell extensions to closed-shell pCCD. Chemical communications (Cambridge, England) 57 (92) (2021)
Aleksandra Leszczyk, Mihály Máté, Örs Legeza, Katharina Boguslawski
Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost. Journal of chemical theory and computation 18 (1) (2021)
Filip Brzęk, Katharina Boguslawski, Paweł Tecmer, Piotr Szymon Żuchowski
Benchmarking the Accuracy of Seniority-Zero Wave Function Methods for Noncovalent Interactions. Journal of chemical theory and computation 15 (7) (2019)
Artur Nowak, Paweł Tecmer, Katharina Boguslawski
Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Katharina Boguslawski, Florent Réal, Paweł Tecmer, Corinne Duperrouzel, André Severo Pereira Gomes, Örs Legeza, Paul W Ayers, Valérie Vallet
On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2. Physical chemistry chemical physics : PCCP 19 (6) (2018)
Katharina Boguslawski
Targeting Doubly Excited States with Equation of Motion Coupled Cluster Theory Restricted to Double Excitations. Journal of chemical theory and computation 15 (1) (2018)
Katharina Boguslawski, Paweł Tecmer
Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry. Journal of chemical theory and computation 13 (12) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Katharina Boguslawski