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24

Sep

Computational Chemistry seminar: Kamil Nalikowski

24 September 2025 10:15 to 11:00 | Seminar

A Computational Chemistry seminar by Guest PhD Kamil Nalikowski, University of Gdansk
Title: Modelling Electronic Structure of Crystals within the Embedded Cluster Model

Abstract: The electronic structure of localized regions in crystals is investigated using multireference quantum-chemical methods that account for electron correlation and relativistic effects. Case studies include Thorium-doped CaF₂ and the LaCoO₃ perovskite. Calculations of electronic excitations are presented and compared with experimental data, demonstrating the effectiveness of the approach.

When: 24 September 2025, 10:15 am

Where: Lecturehall KC:F

About the event

Location:

Lecturehall KC:F

Contact:

valera [dot] veryazov [at] compchem [dot] lu [dot] se