Gałyńska, Marta

1. Exploring electron affinities, LUMO energies, and band gaps with electron-pair theories
   2024/06/20 by Gałyńska, Marta, Tecmer, Paweł, Bogusławski, Katharina · 3 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
2. Geminal-based strategies for modeling large building blocks of organic electronic materials
   2023/08/30 by Tecmer, Paweł, Gałyńska, Marta, Szczuczko, Lena +1 · 2 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
3. Benchmarking ionization potentials from pCCD tailored coupled cluster models
   2024/02/09 by Marta Gałyńska, Gałyńska, Marta, Katharina Bogusławski +1 · 2 citations
   Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Catalytic Processes in Materials Science
4. Accelerating Pythonic coupled cluster implementations: a comparison between CPUs and GPUs
   2023/10/06 by Kriebel, Maximilian H., Tecmer, Paweł, Gałyńska, Marta +2 · 1 citation
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
5. Delving into the Catalytic Mechanism of Molybdenum Cofactors: A Novel Coupled Cluster Study
   2024/06/20 by Marta Gałyńska, Gałyńska, Marta, Matheus Morato F. de Moraes +5 · 1 citation
   Chemical Engineering · Engineering · Materials Science · #Biological Physics (physics.bio-ph) #Catalysis and Hydrodesulfurization Studies #Catalysis and Oxidation Reactions #Catalytic Processes in Materials Science #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences