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Displaying 31 authors out of 31
Practical Approach to van der Waals Interactions
Practical Session 6: Multiscale
Charge and Heat Transport in Solids
The Augmented Plane Wave Method
Frontiers for Basic Science (and Modelling) in Industry
Practical Session 5: Excited State Formalisms
Electronic Transport
Electron Correlation: State of the Art in Quantum Chemistry
Practical Session 2: Periodic Systems: Bulk Materials, Band Structures, and Densities of States
Deciphering the Materials Genome
TDDFT and Optical Properties
Coarse-graining potential energy surfaces from ab initio data using artificial neural networks
"Real Materials": Ab Initio Thermodynamics
Practical Session 4: Charge Transport in Solids at Finite Temperatures
From Ab Initio Molecular Dynamics to Statistical Mechanics
Practical Session 1: The Basics of Electronic Structure Theory
Ab Initio Molecular Dynamics
Exchange and Correlation
Electronic Structure Overview
Computational Materials Science at BASF
Periodic Systems: Concepts
Electronic Structure Theory in Practice II
Many-Body and GW (Computational spectroscopy)
Linear Scaling DFT
Coarse-Graining Time and Space: Kinetic Monte Carlo
The Plane-Wave Pseudopotential Method
Quantum Nuclei
Beyond DFT for Extended Systems
Challenges Beyond Ground State Electronic Structure Theory
Electronic Sructure Theory in Practice I
Introductory remarks

Organizers

C. Baldauf (FHI, Berlin), V. Blum (FHI, Berlin), R. Gebauer (ICTP, Trieste), M. Scheffler (FHI, Berlin)