ESF-LFUI Symposium
Charge Transfer in Biosystems
17-22 July 2011
This conference is organised with support from: |
The principal object of Psi-k is to support European research and researchers in materials through coordination of collaboration and dissemination of information on ab initio computational modeling among the European research community, and from the research community to others outside. Europe has become the leading research area in the world for the application of computational modeling from first principles to materials science and Psi-k aims to maintain and enhance this status.
Psi-k acts as a vehicle for engaging with the wider scientific community, with industry, European policy makers and trans-European computer centers. It will seek to maintain 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.
CNR-NANO-S3 is a unit of the CNR “Istituto Nanoscienze” (CNR-NANO).
“Istituto Nanoscienze” is a new institute of the Italian National Research Council (CNR), founded in 2010, devoted to frontier research in nanoscience and nanotechnology. It comprises three units: NEST-Pisa, NNL-Lecce, and S3-Modena. Our interests range from fundamental science to emerging technologies, as well as applied projects of direct industrial and societal interest.
Of the three units, CNR-NANO-S3 is the National Research Center devoted to "nanoStructures and bioSystems at Surfaces". It is based on a multidisciplinary approach and close interaction between experimental and theoretical activities.
Within the scope of S3, a strong effort is devoted to elucidate the mechanisms of protein-surface interactions. These activities are partially funded by the Italian Institute of Technology through seed-project MOPROSURF.
ESF Research Networking Programme:
Advanced Concepts in ab-initio Simulations of Materials (Psi-k2)
The project concerns the rapidly developing field of ab-initio calculations, which allow parameter free calculations of real materials at the atomic level, applicable to all condensed matter systems. Such simulations are now an indispensable part of materials science, a methodology in which Europe is now the leader worldwide.
The project aims at new concepts and ideas to bring the field forward, with more accurate, powerful and efficient methods. One part is devoted to obtain more accurate total energies and excitation energies, requiring an improved description of electronic correlations and including methods based e.g. on improved functionals, quantum chemistry methods for solids and Quantum Monte Carlo. The second, equally important part is connected with the description of larger systems and more complex materials and processes, including e.g. N-scaling and multi-scale methods. The third part considers methodology challenges arising for specific materials, like e.g. structure optimisation methods for alloys, or Keldysh formalism for transport on nanoscale.
Karlsruhe Institute of Technology (KIT)
On October 01, 2009, the Karlsruhe Institute of Technology (KIT) was founded by a merger of Forschungszentrum Karlsruhe and Universität Karlsruhe.
KIT bundles the missions of both precursory institutions: A university of the state of Baden-Wuerttemberg with teaching and research tasks and a large-scale research institution of the Helmholtz Association conducting program-oriented provident research on behalf of the Federal Republic of Germany. Within these missions, KIT is operating along the three strategic fields of action of research, teaching, and innovation.
