What is Psi-k?

The mission of the Psi-k organisation

Psi-k is a Europe-based, worldwide network of researchers working in the advancement of first-principles computational materials science. Its mission is to develop fundamental theory, algorithms and codes to understand, predict, and design materials properties and functions. Theoretical condensed-matter physics, quantum chemistry, thermodynamics, and statistical mechanics are its scientific core. Applications encompass inorganic, organic and bio materials and span all the way up to many diverse scientific, engineering, and industrial endeavours. The key activities of Psi-k are the organization of conferences, workshops, tutorials, and training schools, and to spread scientific thinking in society.

Further details

Psi-k promotes and coordinates collaboration within the European research community by:

  • Supporting workshops and small conferences on specific topics of active research.
  • Supporting summer schools, tutorial courses and other training activities for young and new researchers in the field.
  • Organizing a large ‘Psi-k conference’ every five years. These were  previously held in 1996, 2000, 2005, 2010. The next will be in summer 2015.
  • Disseminating information about research progress, job opportunities, funding opportunities, relevant workshops, conferences and other events via our forum mailing lists, by monthly ‘highlight’ articles solicited from members of the community, and more informally, by the ‘front-page magazine‘ section of this website.

These activities are open to all European researchers working in a relevant field.

Psi-k acts as a vehicle for engaging with the wider scientific community, with industry, European policy makers and trans-European computer centres. It maintains cooperation with organisations such as the Centre Européen de Calcul Atomique et Moléculaire (CECAM), the European molecular simulation community and its networks, the European Science Foundation (ESF), and Psi-k’s counterpart research communities on other continents.

Since 2007 Psi-k has been a company limited by guarantee with a registered office in the Daresbury Laboratory. The company has  charitable status.

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