The detailed meeting programme may now be viewed and downloaded on the Programme page !

Multiscale Modelling of Materials and Molecules 2016
will take place
at the Ångström Laboratory in Uppsala from Tuesday 7th June to Thursday 9th June, lunch-to-lunch.
It is the fifth in an annual series of meetings arranged by the national strategic e-science research programme eSSENCE. Colleagues from our sister program
me SeRC, from the Chalmers e-Science Centre as well as all other e-science actors or interested colleagues are warmly invited to participate and contribute!

We will discuss both method & model development and interesting applications regarding solids, liquids, molecules, and interfaces between them. We use the term multiscale in an open and inclusive sense.

The European dimension will be a special theme for one of the sessions. With the support of VR, Sweden will become a member of CECAM, with Uppsala University acting as the co-ordinating institution, and the opportunities for Swedish researchers arising from this will be discussed. Furthermore, the latest version of the European Roadmap for Modelling drafted by the European Materials Modelling Council will be presented and discussed.

The meeting is free of charge, including all meals. Day 1 will start at 13.00 with oral sessions in the afternoon, and a poster session followed by a buffet dinner in the evening. Day 2 will include a full program of oral presentations plus the conference dinner; the meeting will end at lunchtime on Day 3. We have reserved single and double rooms at two hotels, with prices from 495 SEK per person per night (see details under Hotels). 

The keynote speakers are:

  • At the electronic scale:               Olle Eriksson (Uppsala University, Sweden)
    Prof. Eriksson is an expert on density functional theory-based electronic structure methodology.
    His presentation is entitled "Reproducibility in DFT calculations of solids".
  • At the atomistic scale:               Peter Kusalik (University of Calgary, Canada)
    Prof. Kusalik is an expert on the dynamics of water and ice,  interfaces and crystallisation.
    He will speak about collective molecular phenomena and models for nucleation and growth,
    in a presentation entitled “The Simulation of Crystallisation: Past, Present and Future”.
  • At the mesoscopic scale:       Dominic Tildesley (CECAM, EPFL Lausanne, Switzerland)
    Prof. Tildesley is the Director of CECAM and an expert on computer simulations of liquids.
    He will speak about the mission of, and opportunities afforded by, CECAM, and about the
    challenges of
    coarse-grained simulations, i.e. with models that go beyond electrons and atoms.
  • Towards reality:                   Klaus Koch (University of Stellenbosch, South Africa)
    Prof. Koch
    is an experimentalist with a strong interest in simulations. He is an expert
    in Platinum Group Metals (PGMs) and will discuss the challenges involved in trying to
    understand their nature, and in meeting the needs of the PGM industry.
  • Towards reality:                   Kwang-Ryeol Lee (KIST, South Korea)
    Dr. Lee is a Principal Research Scientist in the Computational Science Centre of the Korean
    Institute for Science and Technology (KIST), and a developer of their web-based computational
    research platform for designing nano-devices and energy-related materials. He will discuss
    developments and perspectives of materials modelling in Korea.
The invited speakers include:
  • Pietro Asinari (EMMC and Politechnico di Torino, Italy)
  • Anders Bergman (eSSENCE, Uppsala University)
  • Kim Bolton (University of Borås)
  • Peter Broqvist (eSSENCE, Uppsala University)
  • Anna Delin (SeRC, KTH)
  • Matti Hellström (Ruhr-Universität Bochum, Germany)
  • Erik Lindahl (SeRC, Stockholm University)
  • Alexander Lyubarstev (Stockholm University)
  • Michael Odelius (Stockholm University)
  • Magnus Ullner (eSSENCE, Lund University)
  • Welcome address by the Dean of S&T at Uppsala University, Johan Tysk


Kersti Hermansson and team

The Ångström Laboratory
Uppsala University

The meeting is supported

and is arranged in co-operation with: