Program Schedule

Tentative list of topics:

  • Experimentally-constrained wavefunctions and density matrices.
  • Progress in DFT and theoretical methods for solids within quantum crystallography.
  • Topological approaches: Bader’s quantum theory of atoms in molecules (QTAIM), ELF, NCI, etc.
  • Laser-molecule/crystal interaction.
  • Pump-probe approaches, time-resolved X-ray diffraction.
  • Experimental probes for charge, spin, and momentum densities, bright sources, Auger, etc.
  • Functional materials.
  • Nanoscale: Structure, dynamics and densities.
  • Electronic properties of nanomaterials.
  • Charge, spin, and momentum densities in chemical and crystal engineering.
  • Materials under extreme conditions: High pressure, strong external electric fields, intense laser fields etc.
  • Quantum crystallography in the life sciences.
  • Round table discussion on defining Quantum Crystallography, its future, central problems, and contributions to the intersecting spheres of crystallography and quantum chemistry and physics.