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Wavefunction methods for solid state matter (WFS-2025)


Spring 2025
University of Gdańsk, Poland


What is the school 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 4specifically 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?
PhD students and postdocs working in the fields of chemsitry, 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 (including lunches): 200 EUR
  • Accommodation (3 nights): 260 EUR (single room) or 150 EUR (shared double room)
Practical information and deadlines
  • The registration will be open soon!
  • Participants must bring their own laptops.




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