4th Workshop on ab initio phonon calculations

Invited speakers:

  • Peter Blaha (TU, Vienna)
  • Yuhua Duan (US Dep. Energ, Pittsburgh)
  • Mark Johnson (ILL, Grenoble)
  • Reinhard K. Kremer (MPI, Stuttgart)
  • Michael Krisch (ESRF, Grenoble)
  • Dominik Legut (VSB, Ostrava)
  • Mathieu Le Tacon (MPI, Stuttgart)
  • Alfonso Munoz (ULL, Tenerife)
  • Talat Rahman (UCF, Orlando)
  • Helmut Schober (ILL, Grenoble)
  • Svetoslav Stankov (KIT, Karlsruhe)
  • Paweł Starowicz (UJ, Kraków)
  • Wojciech Szuszkiewicz (IP PAS, Warszawa)
  • Björn Wehinger (Université de Genève)


After 10 years since the first meeting in Kraków, the 4th Workshop on ab initio phonon calculations will be organized in the Institute of Nuclear Physics on December 3-6 2014. From the beginning, the workshop was focused on the first-principles studies with a special emphasis on lattice-dynamical properties of materials. During the previous workshops, the lectures and posters presented recent developments in the computational techniques and softwares as well as applications of these methods to current scientific problems.

Phonons play an important role in solids and determine the thermal properties of all kinds of materials. Lattice vibrations are responsible for such phenomena like superconductivity and structural phase transitions. Many relevant quantities such as heat capacity, thermal expansion, mean-square displacements, dielectric functions, electric and heat conductivity can be determined by knowing phonon spectra.

The aim of this workshop is to provide the fundamentals of phonon calculations based on the ab initio methods and present the applications of such methods to numerous physical problems. The lectures on the computational programs are presented by the experts who create and develope computer softwares (VASP, Wien2k, Phonon).

Recent achievements in experimental and sample preparation techniques enable to study new classes of materials ranging from complex oxide heterostructures to very small nano-objects (like monoatomic layers or nanoparticles). This challenges the computational methods and stimulates further progress in theoretical physics. On the other hand, the information obtained from the calculations is very supportive for experiments such as the inelastic neutron and X-ray scattering, nuclear inelastic scattering, infrared and Raman measurements.
The workshop is a good opportunity for the experts from different areas of condensed matter physics to meet and discuss, and often it becomes a starting point of new studies and new collaborations.

The workshop in 2014 will present the recent theoretical and experimental achievements in a broad range of research fields such as:

- progress in computational methods
- dynamical properties of nanomaterials
- phase transitions and phase diagrams
- phonons in strongly correlated systems
- electronic structure
- superconductivity
- phonons in defected crystals
- chemical reactions
- thermal conductivity
- functional materials


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