cecam cin2 gencat

micinn psi-k zcam

Sponsors : CECAM, CIN2, GenCat, MICINN, PSI-K, ZCAM



· Wanda Andreoni   CECAM and EPFL - Lausane, Switzerland
· Alfonso Baldereschi    EPFL - Lausanne, Switzerland
· Stefano Baroni    SISSA - Trieste, Italy
· Claudia Filippi    Univ. Twente, Netherlands
· Giulia Galli    Univ. California - Davis, USA
· Xingao Gong    Fudan University, China
· Xavier Gonze    Univ. Catholique de Louvain, Belgium
· Jisoon Ihm    Seoul National University, Korea
· Erik Koch    Forschungszentrum Jü lich, Germany
· Steven G. Louie    Univ. California - Berkeley, USA
· Richard M. Martin    University of Illinois, USA
· Nicola Marzari    University of Oxford, UK
· Shobhana Narasimhan    JNCASR - Bangalore, India
· Pablo Ordejón    CIN2 (CSIC-ICN), Barcelona, Spain
· Lucia Reining    École Polytechnique - Paris, France
· David Vanderbilt    Rutgers University, USA


· Pablo Ordejón  CIN2 (CSIC-ICN)
· Jorge Íñiguez  ICMAB (CSIC)
· Massimiliano Stengel ICREA and ICMAB (CSIC)
· Daniel Sánchez-Portal   CFM (CSIC)


Complete program with abstracts (3.2 Mb pdf file)


List of Sessions and Speakers


New DFT Functionals

Andreas Savin Universite Pierre et Marie Curie, France
Double hybrid density functional theory (tentative)

Gustavo E. Scuseria Rice University, USA
Symmetry breaking and restoration in electronic structure theory

Sangeeta Sharma Max Planck Halle, Germany
Treatment of strongly correlated systems within the framework of reduced density matrix functional theory

Quantum Monte Carlo

Ali Alavi University of Cambridge, UK
Quantum Monte Carlo approach to the full CI problem: recent progress

Sandro Sorella SISSA, Italy
Efficient Resonance Valence Bond approach for electronic structure

Shiwei Zhang College of William and Mary, USA
Recent progress in electronic structure calculations by auxiliary-field quantum Monte Carlo

Magnetism and Topological Phases

Stefan Blugel Julich Forschungszentrum, Germany
Spin relaxation mechanisms in metallic systems: Resonance and anisotropy effects

Ivo Souza Universidad del País Vasco, Spain
Wannier-based description of orbital magnetic effects in ferromagnets

Oleg Yazyev EPFL, Switzerland
Bismuth chalcogenide topological insulators from first principles

Strong Correlations

Jan Kunes Academy of Sciences, Czech Republic
Thermal and doping effects in materials with competing multiplets

Tanusri Saha Dasgupta SN Bose National Centre for Basic Sciences, India
A Realistic Theory of Correlated Oxides

Electron Dynamics

Matteo Gatti Universidad del Pais Vasco, Spain
Design of effective kernels for spectroscopy: time-dependent current-density-functional theory

Fernando Martin Universidad Autonoma de Madrid, Spain
XUV/X-ray femto- and attosecond laser pulses for ultrafast electronic control in simple molecules: towards attochemistry?

Marco Schiro Princeton University, USA
Non-equilibrium Dynamical Mean Field Theory (tentative)

Electrochemistry and Photocatalysis

Annabella Selloni Princeton University, USA
First principles simulations of materials and processes in photo- and electro-catalysis

Michiel Sprik University of Cambridge, UK
Reactivity of holes at the TiO2 water interface


Marivi Fernandez-Serra Stony Brook University, USA
Anomalous Nuclear Quantum Effects in Ice

Javier Junquera Universidad de Cantabria, Spain
Highly-confined spin-polarized two-dimensional electron gas in SrTiO3/SrRuO3 superlattices

Jorg Neugebauer Max Planck Dusseldorf, Germany
Fully ab initio determination of free energies: Application to modern high-strength steels

Cheol Hwan Park Massachusetts Institute of Technology, USA
Many-body effects on the carrier dynamics of graphene

Ruben Perez Universidad Autonoma de Madrid, Spain
Probing nanostructures with forces and currents

Large Scale Simulations

Johaness Neugebauer Technical University Braunschweig, Germany
Subsystem-Based Time-Dependent Density-Functional Theory for Biomolecular Spectroscopy

Joost VandeVondele University of Zurich, Switzerland
Simulating large condensed phase systems with GGA and hybrid density functionals



The Registration Fees for this workshop are:

- 350 euros, for Regular Participants

- 200 euros, for PhD students

The Registration includes:

- Admission to all the sessions

- Possibility of submitting an abstract for a poster

- Program and conference book of abstracts

- Lunch and coffee breaks

- Space allowing, we intend to accept all the requested poster presentations.

- A conference dinner for all participants may be organized depending on the final budget of the workshop.


** Unfortunately, we can NOT provide any financial support to regular participants **


Registration is now closed

There may be some last minute chances to register. For that, please fill the contact form.


Abstract submission is now closed

As regards the abstracts for posters:

DEADLINE: December 18, 2011

List of accepted abstracts: December 20, 2011


Note: Posters must fit in a 100 cm x 198 cm panel.


Casa Convalescència


The workshop will take place downtown Barcelona, at the Casa Convalescència of the Hospital de la Santa Creu i Sant Pau, declared Cultural Heritage for Humanity by UNESCO in 1997.




The workshop organizers have not made any arrangements for the accommodation of regular participants. Nevertheless, here is a list of hotels that are close to the workshop site and offer a reasonable quality-price compromise.

Hotel Confortel Bel Art ****

Lepant 406

Hotel Sagrada Familia ***

Corsega 541

Hotel Aristol ***

Cartagena 369

Hotel Acta Ink 606 ***

Mallorca 606

Hotel Catalonia Albeniz ***

Arago 591-593

Hotel Medicis ***

Castillejos 340

Hotel Medium Abalon *

Travessera de Gracia 380-384


For more information about the city of Barcelona, transportation, safety tips, etc. please download this document.

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