WORKSHOP WFS
Wavefunction methods for solid state matter (WFS-2025) – 25/03- 28/03 2025 – University of Gdańsk, Poland
What is the workshop about?
Wavefunction methods, including multiconfigurational theory, are well-established techniques for electronic structure calculations of both ground and excited states in chemistry and molecular spectroscopy. However, these methods have been seldom applied in the context of solid-state systems due to their computationally intensive nature and the requirement for additional approximations specifically designed for extended systems. Nevertheless, in recent years, several schemes have been developed that provide opportunities to apply wavefunction methods to solids. The aim of this workshop is to disseminate knowledge about such approaches and promote their understanding.
For whom it may be interesting?
Advanced master students, PhD students and postdocs working in the fields of chemistry, physics, materials science, etc., both experimental and theoretical
The Workshop philosophy is based on problem oriented learning.
Main topics to be covered include:
- The electronic structure of solids
- Symmetry and basic crystallography
- Hartree-Fock/DFT with periodic boundary condition
- Electronic correlation in molecules and in solids
- Cluster and fragment embedding techniques
- Relativistic effects and lanthanide chemistry
- Properties (electron density, atomic charges, excited states)
The highlights
- Lectures and practical exercises
- “Bring your own” project/problem session
- Time for discussions
Poster session
The costs
- Conference fee for participant (including lunches): 0 EUR (Fee is paid by NAWA)
- Accommodation and travel costs are on the participant. Estimated cost (per night) of the single room in a hotel (***/****) is ~ 100 EUR
Practical information and deadlines
- The registration will be open soon!
- Participants must bring their own laptops.
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