This Workshop will follow the series started in Oxford, U.K. (1983) and continued in Braunschweig, Germany (1984) and in Trieste, Italy (1987, 1989, 1991, 1993, 1995, 1997, 1999, 2001, 2003, 2005, 2007 and 2009).

Following the tradition of the previous meetings, the Workshop will be devoted to recent advances in computational condensed matter physics and materials science, based on realistic calculations of the electronic structure of complex systems.

The activity will be held at the Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy from 13 to 15 January 2011 with the co-sponsorship of the International School for Advanced Studies (SISSA), the CNR-IOM DEMOCRITOS Simulation Center, Psi-K, Asia Pacific Center for Theoretical Physics (APCTP) , Nanoscience Foundries and Fine Analysis (NFFA) , the Materials Computation Center (MCC) and CECAM.

As in previous events of this series, the Workshop will consist of invited talks and a contributed poster session, with ample space devoted to discussion.

INVITED SPEAKERS Invited speakers and preliminary titles

• Claudia Ambrosch-Draxl "Many-body effects in photo-emission spectra: The role of electron-phonon coupling"
• E.-J. Baerends "A perspective on density matrix functional theory for ground state and excited state potential energy surfaces"
• Arjan Berger "Ab initio calculations of electronic excitations: collapsing spectral sums"
• Thomas Bligaard "Towards Catalysis Informatics"
• Giovanni Bussi "Stochastic thermostats in classical and ab initio molecular dynamics"
• Klaus Capelle "Filling gaps in our understanding of gaps"
• Wenhui Duan
• Olle Eriksson "Self-consistent ab-initio lattice dynamics (SCAILD); theory and numerical examples"
• Ralph Gebauer "Combining molecular dynamics and time-dependent density functional theory for a better understanding of dye sensitized solar cells"
• Feliciano Giustino "GW calculations for solar energy materials using the self-consistent Sternheimer equation"
• Stefan Goedecker
• Hardy Gross "Exact Factorization of the Complete Electron-Nuclear Wavefunction"
• Bob Jones "Simulations of phase change materials: Order-disorder phase transitions in nanoseconds"
• Emmanouil Kioupakis "Auger recombination and absorption loss processes in nitride light emitters from first principles"
• Georg Kresse "Total energies from diagrammatic techniques: RPA, MP2, and coupled cluster"
• Stefan Kurth
• Yanming Ma
• Neepa Maitra "Charge Transfer and Other Challenges in TDDFT"
• Joel Moore "New Topologically Ordered Phases Of Condensed Matter"
• Warren Pickett "Mott Transition in MnO and Valence Transition in Yb under Pressure: Predictions from an All-Electron LDA+DMFT Implementation"
• Silvia Picozzi "Multiferroics: Electronic degrees of freedom at play"
• John Rehr "Calculations of Optical Spectra from the UV-Vis to X-rays"
• Dario Rocca "Bethe-Salpeter equation without empty electronic states applied to charge-transfer excitations"
• Alexander Tkatchenko "Towards accurate modeling of van der Waals interactions in complex materials"
• Paolo Umari "GW quasi-particle spectra from occupied states only: application to DNA"
• David Vanderbilt "Orbital magnetoelectric effects and topological insulators"
• Takahiro Yamamoto "Phonon transport of carbon nanotubes in ballistic, diffusive, and localized regimes"
• Oleg Yazyev "Modeling dislocations and grain boundaries in graphene"

CALL FOR CONTRIBUTED POSTERS

During the activity there will be one or more poster sessions. If you want to present a poster, please indicate this in the corresponding field of the online registration. An abstract of the poster must be sent to the workshop secretary no later than 8 November 2008 in order to prepare the booklet. You can download a template for the abstract in .doc or in .tex format. Please send your abstract to the workshop secretary at the following address: smr2220[at]ictp.it. Please submit the abstract either in pdf or in doc format.

REGISTRATION

Attendance is open and free, but it is necessary to register on a first-come, first-served basis (room capacity constrains us to a maximum of 300 participants, including the speakers). To register, please follow this link.

HANDS-ON TUTORIAL ON ELECTRONIC STRUCTURE COMPUTATIONS

A Hands-on Tutorial on Electronic Structure Computations will be organized in the week following the Workshop, January 17-21, 2011. Advanced topics like electronic transport, excitations (TDDFT and GW) and NRM computations will be treated. Students and young postdocs with a proven experience in standard DFT computations may participate in this tutorial. The Tutorial is open only for participants of the Workshop.

Please note that applicants requesting funding and/or visa assistance should complete the online application by 4 October 2010. Those not requiring funding and/or visa assistance can apply by 8 November 2010.

Further information on the hands-on tutorial