Concept
Multi-configurational self-consistent field
Related people (13)
Alfredo Pasquarello
Alfredo Pasquarello studied physics at the
Scuola Normale Superiore
of Pisa and at the University of Pisa, obtaining their respective degrees in 1986. He obtained a doctoral degree at the EPFL in 1991 with a thesis on
Multiphoton Transitions in Solids
. Then, he moved to Bell Laboratories at Murray Hill (New Jersey), where he carried out postdoctoral research on the magnetic properties of carbon fullerenes. In 1993, he joined the Institute for Numerical Research in the Physics of Materials (IRRMA), where his activity involved first-principles simulation methods. In 1998, he was awarded the EPFL Latsis Prize for his research work on disordered silica materials. Succeeding in grant programs of the Swiss National Science Foundation, he then set up his own research group at IRRMA. In July 2003, he is appointed Professor in Theoretical Condensed Matter Physics at EPFL. Currently, he leads the Chair of Atomic Scale Simulation.
Ursula Röthlisberger
U. Röthlisberger was born in Solothurn (Switzerland). In 1988 she made her diploma in Physical Chemistry in the group of Prof. Ernst Schumacher at the University of Berne (Switzerland). Her Ph.D. thesis was done in collaboration with Dr. Wanda Andreoni at the IBM Zurich Research Laboratory in Rüschlikon. After finishing her Ph.D in 1991 she spent some time as a postdoctoral research assistant at the IBM Research Lab. From 1992-1995 she was a postdoctoral research assistant in the group of Prof. Michael L. Klein at the University of Pennsylvania in Philadelphia (USA). In 1994 she was awarded an advanced researcher fellowship (Profil 2) from the Swiss National Science Foundation. Before starting her Profile 2-fellowship she spent another year as postdoctoral research assistant in the group of Prof. Michele Parrinello at the Max-Planck-Institute for Solid State Physics in Stuttgart, Germany. In 1996 she moved as Profile 2-fellow to the ETH in Zurich, hosted by the group of Prof. Wilfred F. van Gunsteren. In 1997 she became Assistant Professor of Computer-Aided Inorganic Chemistry at the ETH Zurich.
Harald Brune
Originaire de Münich en Allemagne, né en 1961, Harald Brune obtient son diplôme en physique de l'Université Ludwig Maximilians en 1989. Après une thèse en chimie physique à l'Institut Fritz-Haber de la Société Max-Planck à Berlin il obtient son titre de docteur ès sciences en 1992. Dès cela, il rejoint le groupe du Prof. K. Kern à l'Institut de physique expérimentale à l'EPFL. En 1995 il est chercheur invité à Copenhague travaillant en modélisation chez le Prof. J. Nørskov. De retour à l'EPFL, il se voit décerné le prix Latsis EPFL 1996 pour ses études par microscopie à effet tunnel de processus atomiques déterminants la croissance cristalline de couches minces. En 1998 il obtient son habilitation (venia legendi) en Physique et est nommé Maître d'enseignement et de recherche (MER) en nanophysique à l'EPFL. La même année il recoit une offre de Professeur Ordinaire (C4) de l'Université Philipps de Marburg. Début 1999 il réfuse cette offre et accepte un poste de Professeur Extraordinaire à l'EPFL et s'installe au sein de l'Institut de la Physique des Nanostructures. Il est nommé Professeur Ordinaire en 2005. Sa recherche porte sur les propriétés physiques (en particulier le magnétisme et la structure électronique) de nouvelles formes de la matière condensée comme des nanostructures et des couches ultra-minces. Il s'intéresse également à la catalyse hétérogène sur des systèmes inspirés dans leur composition et taille par celle des sites actives dans les enzymes en biologie. Il enseigne la Physique Générale pour ingénieurs, la Physique des matériaux solides pour physiciens, les méthodes expérimentales pour physiciens, ainsi que la Physique des surfaces, interfaces et nanostrcutures à l'école doctorale.
Stefano Rusponi
Education:
• 1999 Doctoral degree in Physics obtained at the Physics Department, University of Genova PhD thesis title: “STM study of nanostructures induced by ion sputtering on noble metals”.
• 1994 University degree in Physics achieved at the Physics Department, University of Genova. Final mark: 110/110 cum laude
Diploma thesis title: “A project for a new method of EELS spectroscopy”.
• 1988 High school at the Liceo Scientifico G. P. Vieusseux in Imperia. Final mark: 60/60.
Research career plan:
• 2016 – present MER: Ecole Polytechnique Fédérale de Lausanne (EPFL) in the group of Prof. Harald Brune
• 2003 – 2016: 1er. Assistant: Ecole Polytechnique Fédérale de Lausanne (EPFL) in the group of Prof. Harald Brune
• 2000-2003: Assistant: Ecole Polytechnique Fédérale de Lausanne (EPFL) under the direction of Prof. Harald Brune
• 1999-2000: Research associate: Max-Planck-Institut of Stuttgart under the direction of Prof. Klaus Kern
Miscellaneous of professional activities:
a) Review panel
• Member of the Elettra proposal review panel
• Member of the committee of the EDPY doctoral school in Physics at the EPFL
b) Co-worker in the building of the X-Treme beamline:
c) Referee for scientific journals:
• Nat. Commun., Phys. Rev. Lett., Phys. Rev. B, J. Appl. Phys., Surf. Sci., J. Magn. Magn. Mater.
Funding record
a) Funding awarded
• Quantum Properties of Nanostructures at Surfaces, FNS 200020-157081/1;
(01/10/2014 – 31/09/2017); total amount attributed: 832'558 CHF; co-applicant
• Controlling magnetic anisotropy by interfacial coupling, FNS 200021_146715/1;
(01/01/2014 – 31/12/2016); total amount attributed: 367'800 CHF; co-applicant
• Self-assembled bi-metallic magnetic pillar superlattices with enhanced blocking temperature, SER C10.0135; (01/08/2011 – 01/08/2013); total amount attributed: 170'000 CHF; co-applicant
• Magnetic and Catalytic Properties of Surface Supported Metallic Nanostructures, FNS 200020-120493/1; (01/04/2008 – 31/03/2010); total amount attributed: 402'669 CHF; co-applicant
• Magnetic and Catalytic Properties of Surface Supported Metallic Nanostructures, FNS 200020-112322/1; (01/04/2006 – 31/03/2008); total amount attributed: 347'633 CHF; co-applicant
b) Approved proposals for the allocation of beamtime
Swiss Light Source (SLS):
main proposer: 9
co-proposer: 4
Elettra:
main proposer: 5
co-proposer: 1
European Synchrotron Radiation Facility (ESRF):
main proposer: 2
co-proposer: 11
Student supervisor
• Co-director of PhD thesis: 4 PhD students
- Dimitris Mousadakos: Seeking the smallest room temperature magnets; (in progress)
- Romana Baltic: Controlling single atom magnetic anisotropy by interfacial coupling; (in progress)
- Alberto Cavallin: Growth and magnetism of nanostructures investigated by STM, MOKE, and XMCD; (Oct. 2013), Thèse N°5941
- Sergio Vlaic: Magnetism and atomic scale structure of bimetallic nanostructures at surfaces; (Dec. 2012), Thèse N° 5625
- Anne Lehnert: Magnetism of individual adatoms and of epitaxial monolayers; (Jun. 2009), Thèse N° 4411
- Geraud Moulas: Growth and magnetism of 2D bimetallic nanostructures; (Dec. 2008), Thèse N° 4231
- Philipp Buluschek: Submonolayer growth of cobalt on metallic and insulating surfaces studied by scanning tunneling microscopy and kinetic Monte-Carlo simulations; (Nov. 2007), Thèse N° 3944
- Nicolas Weiss: Propriétés magnétiques de nanostructures de Co adsorbées; (Apr. 2004), Thèse N° 2980
Berend Smit
Berend Smit received an MSc in Chemical Engineering in 1987 and an MSc in Physics both from the Technical University in Delft (the Netherlands). He received in 1990 cum laude PhD in Chemistry from Utrecht University (the Netherlands). He was a (senior) Research Physicists at Shell Research from 1988-1997, Professor of Computational Chemistry at the University of Amsterdam (the Netherlands) 1997-2007.
In 2004 Berend Smit was elected Director of the European Center of Atomic and Molecular Computations (CECAM) Lyon France. Since 2007 he is Professor of Chemical Engineering and Chemistry at U.C. Berkeley and Faculty Chemist at Materials Sciences Division, Lawrence Berkeley National Laboratory. Since 2014 he has been director of the Energy Center at EPFL.