QUANTUM CRYSTALLOGRAPHY
Preliminary Programme

Lectures

Direct and reciprocal space, structure factor
Alexander Eggeman
University of Manchester, UK

Periodic Quantum Chemistry
Silvia Maria Casassa
University of Turin, Italy

Neutron diffraction and spin resolved electron density
Nicolas Claiser
University of Lorraine, France

Topological analysis
Julia Contreras
Sorbonne University, France

Crystal structure prediction
Graeme Day
University of Southampton, UK

• Diverse approximations for atomic scattering factors
• Multipole model
Paulina Dominiak
University of Warsaw, Poland

ELMOs in Quantum Crystallography
Alesandro Genoni
Politecnico di Milano, IT

• Basics of Quantum Chemistry
• One-electron reduced density matrix reconstruction
Jean-Michel Gillet
CentraleSupelec, France

• Hirshfeld Atom Refinement (HAR)
• Quantum crystallography in inorganic and bio-organic chemistry
Simon Grabowsky
University of Bern, CH

Quantum Crystallography in materials science
Bo B. Iversen
Aarhus University, Denmark

X-ray Constrained Wavefunction fitting
Dylan Jayatilaka
University of Western Australia, Australia

Multipolar electron density data banks
Christian Jelsch
University of Lorraine, France

Accurate X-ray diffraction measurements
Lennard Krause
Aarhus University, Denmark

Polarizabilities
Anna Krawczuk
Georg-August-University Göttingen, Germany

Women in Science
A. Krawczuk/J. Contreras
Georg-August-University Göttingen /Sorbonne University

The historical background and future prospects of quantum crystallography
Piero Macchi
Politecnico di Milano, Italy

Dynamics of crystals, introduction to diffuse scattering
Anders O. Madsen
University of Copenhagen, Denmark

Dynamical refinement / Charge density analysis in 3D ED
Lukas Palatinus
Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic

Bonding analyses
Angel M. Pendas
University of Oviedo, Spain

Structure solution and refinement (IAM)
Horst Puschmann
Durham University, UK

Machine learning in crystallography
Mariana Rossi
Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany

Quantum refinement for biological applications
Ulf Ryde
Lund University, Sweden

AI in crystallography, AlphaFold
Andrea Thorn
Hamburg University, Germany