Konferencja Użytkowników Komputerów Dużej Mocy - KUKDM 2024

Session

S2 - Contributed session

14 Mar 2024, 11:20

6. Theoretical Studies of the Propylene Oxide Opening Reaction Mechanism in the Copolymerization of CO2 with Epoxides Process Catalyzed by a Cobalt(III) Complex with Salen Ligand: Unraveling the Computational Complexity

Olga Żurowska

14/03/2024, 11:20

Olga Żurowska, Artur Michalak

7. A Study of the Properties of Unsymmetrically Substituted 4,5-dialkoxy-2-nitroanilines by Spectroscopic and Theoretical Methods

Karina Synowiec

14/03/2024, 11:35

Karina Synowiec, Marek Boczar, Jarosław Grolik

8. Investigating the Mechanical Characteristics of Al2O3 through Density Functional Theory and Molecular Dynamics

Mostafa Fathalian

14/03/2024, 11:50

Mostafa Fathalian, Eligiusz Postek, Masoud Tahani, Tomasz Sadowski

10. Multi-scale Modeling of Texture Evolution in Deformed Metals

Bartosz Sułkowski

14/03/2024, 12:05

Bartosz Sułkowski

11. Studies on the Interaction of Nanoplastics with Lipid Systems

Franciszek Włodek

14/03/2024, 12:20

Franciszek Włodek, Waldemar Kulig, Jacek Korchowiec, Anna Stachowicz-Kuśnierz

12. Theoretical Study of Copper Complexes in Artificial Photosynthesis

Alicja Mikłas

14/03/2024, 12:35

Alicja Mikłas, Mateusz Z. Brela

13. Hydrolysis as an Alternative Path of Nylon 6 and PHB Degradation: a Computational Study

Yuliia Didovets

14/03/2024, 12:50

Yuliia Didovets, Mateusz Z. Brela

14. A Detail that Matters? Rotational Isomerism in Some Ortho-substituted Benzophenones

Andrzej J. Kałka

14/03/2024, 13:05

Andrzej J. Kałka, Mateusz Z. Brela, Andrzej M. Turek