Magnetic molecules and atoms studied by scanning probe microscope experiments and molecular transistors represent ideal systems to address the very foundations of the quantum theory of magnetism. The proposed workshop will gather both physicists and chemists to question what electronic structure theory to use for such systems. Hence, the most recent developments in first-principles methods will be presented with a special focus on those that could describe correlation effects, excitations and complex structural details on equal footing.


Topics include:


  1. magnetic properties of molecules in the gas phase, in particular spin state energetics and exchange coupling between several magnetic centres,

  2. magnetic properties of atoms and molecule on surfaces, in particular the Kondo effect and surface-mediated exchange-coupling between adsorbed atoms,

  3. finite-bias transport and magnetic excitations at the atomic scale,

  4. Entangled states and application to quantum computation in magnetic molecules and atoms.


In the spirit of DIPC, the workshop would like to provide a friendly atmosphere to foster discussions and collaborations between physicists, materials scientists and quantum chemists. We plan to have mostly oral contributions by invited speakers. However, we would like to encourage the participation of postgraduate students and researchers at the early stage of their career, who can submit an abstract for a poster presentation. A few selected abstract will be promoted to talks.

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