Welcome to the 2019 EMMC-eSSENCE Meeting
3-5 June 2019 in Uppsala! (lunch-to-lunch)

"Multiscale modelling of materials and molecules:
Physics-based and data-driven."

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Registration opens at 11.30 outside the Siegbahn hall.
The conference program (version 2 May at 15 o'clock) is found under "Program, venue,..." (see left margin). And in paper form at the registration desk.

The abstracts that were selected for the poster session will get an opportunity to present an oral micro presentation as an introduction to your poster. Everyone gets 3 minutes for talking. Thus please prepare slides, not more than three  (simple and "clean" slides are of course usually the best) - and upload the PDF file before the meeting, i.e. at the latest on Friday the 31st at 20.00 (8 p.m.) using this link, so we can put them together for Monday. 

Multiscale modelling (coupling & linking of models) is a central theme in molecular and materials modelling of complex systems, and it is also a central theme of this meeting. This is the 2nd international EMMC-eSSENCE meeting with the sub-theme of physics-based & data-driven modelling

Future materials and molecular modelling is likely to combine physics-based and data-driven approaches  in many new ways. New strategies will emerge to bridge the scales in multiscale modelling, to identify new materials relations and descriptors, and (perhaps) to embark on entirely new S&T fields. Will the reliability, accuracy and validity of modelling improve accordingly? This meeting is about overcoming modelling obstacles in general, with a special focus on solutions that may come from multiscale modelling and from the combination of physics-based & data-driven modelling.

Invited keynote speakers are:


Dr. Berend Smit (Professor of Chemical Engineering, School of Basic Sciences, EPFL, CH)

    "The Nanoporous Materials Genome in action - molecules in prison."

Dr.  Stefaan Cottenier (Center for Molecular Modelling, Ghent University, BE)

    "The road to modelling accuracy - and how to assess it."

Mr.  Shahin Khan (Technology analyst, OrionX, Menlo Park, USA)

     "Critical technologies of the future - IoT, AI, HPC, Block chain, ..."

Dr.  Uko Maran (Senior Research Fellow in Molecular Technology, University of Tartu, EE)

    "Data-driven QSAR modelling - 60 years old and more powerful than ever."

Dr.  Thomas Schön (Division of Artifical Intelligence, Uppsala Univ, SE)

    "Probabilistic modelling -  driven by data, guided by physics"

Invited speakers:
Dr. Joachim Paier     (Humboldt U, Berlin)                     "From Slab to Cluster Models: Partial oxidation of methanol on iron oxide"
Dr. Amber Mace        (EPFL Lausanne/Uppsala U)         -  "Predicting diffusion from the geometry of energy landscapes"
Dr. Jens Reinisch      (COSMOlogics, Leverhusen)          -  "From solvation models in quantum chemistry to thermal calculations"
Prof.  Pietro Asinari (Politecnico di Torino)                    -  "Atomistic-to-continuum models supported by machine learning"
Prof.  Per Hyldgaard (Chalmers UoT)                               -   "vdW inclusive or vdW-corrected DFT?"
Prof.  Olle Eriksson  (Physics&Astronomy, Uppsala U) -  "Multiscale modelling of magnetic materials"
Prof. Erik Lindahl     (SeRC, Stockholm University)       -   "Computational CRYO-EM and more"

The deadline for registration and abstracts submission is 17 May 2019. Abstracts on any of the themes of the meeting – modelling challenges, multiscale modelling,  and data-driven &. physics-based models – are all equally welcome! It is of course also perfectly fine to participate without a presentation.
The conference dinner will be held next to the unique exhibition of the Titanic ship on display in Uppsala this summer. The unsinkable Titanic sank on its maiden voyage on 15 April 1912 in the North Atlantic after colliding with an iceberg. The exhibition consists of some 200 original objects and many recreated interiors in natural size. We will visit it before dinner.  Sign up for it on the registration page of this conference.
This meeting is arranged by the Swedish national strategic e-science research programme eSSENCE in collaboration with the  European Materials Modelling Council and with colleagues from our sister programme SeRC

Kersti Hermansson, Peter Broqvist and team

Uppsala University

The meeting is supported

and is arranged in co-operation with:

This workshop has received funding via the EMMC-CSA project from the European Union‘s Horizon 2020 research and innovation programme under Grant Agreement No 72386.

Version 6 of the Review of Materials Modelling (RoMM 6) called is now published by the EC. The direct link is found here.