Psi-k - Ab initio (from electronic structure) calculation of complex processes in materials

Working Groups

Ψk Proposal

Ab Initio Quantum Many-Body Calculations on Real Materials (Working Groups 1, 2, 3)

  1. GW Method
  2. Quantum Monte Carlo Method (QMC)
  3. Dynamical Mean Field Theory (DMFT)

Tackling Larger Systems (Working Groups 4+5)

  1. Linear scaling and local orbitals
  2. Hybrid quantum and classical methods
  1. Surface Science, Catalysis and Corrosion

Semiconducting Electronics (Working Groups 7+8)

  1. Semiconductors and Nanotechnology
  2. Electronics at the Molecular Level

Magnetism (Working Groups 9, 10, 11)

  1. Magneto-electronics
  2. f-electron systems
  3. Complex Magnetism and Nanostructures
  1. Ab initio simulations for biology
  1. Structures, properties and processes in minerals and related materials
  1. Grain boundaries and heterophase interfaces in materials
  1. Ab initio Design of Structural Materials