Workshop logo

N. Drummond
Physics Dept,
Lancaster University
Lancaster LA1 4YB, UK
Fax: +44 1524 844037

Neil Drummond (Lancaster)
Stephan Roche (ICN Barcelona)
Vladimir Falko (Lancaster)

This workshop addresses the technical challenges facing first-principles methodologies in the accurate modelling of two-dimensional materials. Relevant topics include the treatment of dispersion forces in first-principles calculations, the challenge of determining atomic structures, studies of defects and adsorbants on surfaces, and the accurate description of magnetic properties, correlations, and transport. Methodologies that go beyond conventional density functional theory, such as quantum Monte Carlo techniques or many-body perturbation theory calculations, are of particular interest.

One of the goals of this workshop is to contribute to a European Union "roadmap" for graphene-based electronics and broad applications of graphene and other two-dimensional materials, in order to establish the role that first-principles methods will play in this roadmap. The meeting is therefore intended to bring together both experts in the development of computational electronic structure techniques and researchers who have experience of applying these methods to two-dimensional systems.

Presented Talks

Dario Alfè talk Dario Alfè (UCL)
Stefano Baroni talk Stefano Baroni (SISSA) (20 MB)
Marie-Laure Bocquet talk Marie-Laure Bocquet (ENS Lyon)
Jean-Christophe Charlier talk Jean-Christophe Charlier (Louvain) (24 MB)
Neil Drummond talk Neil Drummond (Lancaster)
     Feliciano Giustino (Oxford)
     Ari Harju (Aalto)
     Nicholas Harrison (ICL)
     Georg Kresse (Vienna)
Andrea Marini talk Andrea Marini (Tor Vergata Rome)
Nicola Marzari talk Nicola Marzari (Oxford)
     Francesco Mauri (CNRS Paris)

Alston Misquitta talk Alston Misquitta (Cambridge)
Richard Needs talk Richard Needs (Cambridge)
Valerio Olevano talk Valerio Olevano (CNRS Grenoble)
Pablo Ordejon talk Pablo Ordejon (CIN2 Barcelona) (20 MB)
Cheol-Hwan Park talk Cheol-Hwan Park (Oxford)
Mike Payne talk Mike Payne (Cambridge)
Stephan Roche talk Stephan Roche (ICN Barcelona)
Sandro Sorella talk Sandro Sorella (SISSA)
Valentina Tozzini talk Valentina Tozzini (Pisa) (10 MB)
Ludger Wirtz talk Ludger Wirtz (CNRS-UMR Villeneuve)
Viktor Zolyomi talk Viktor Zolyomi (Lancaster)
     Oleg Yazyev (Berkeley)

Please note: some of the above presentations are quite big and difficult to download. We indicated the sizes of the presentations that exceed 5 MB.


Sessions are held from 9.40 am on Wednesday 14th September till 1 pm on Friday 16th September. There is a poster session on Thursday evening, with the poster boards accommodating A0 size posters in portrait orientation. The poster session is being held in the Lancaster University Management School foyer.

The Conference booklet and Abstracts

The Timetable

Unless otherwise stated, all activities are taking place in Lecture Theatre 4 at the Management School.


How to find us

See Travel to Lancaster University and Maps.