eSSENCE-EMMC Meeting 2025

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A compact version of the conference program is available under the Program tab and here. 

The detailed conference program is available under the Program tab and here.

The Abstracts for all talks in time order are also available under the Program tab and here.

The list of all Posters and their Abstracts are available under the Program tab and here.

Welcome to the eSSENCE-EMMC Meeting 

"Multiscale modelling of materials and molecules 2025"

Time:  Wednesday 11  June (13:00 CEST) - Friday 13 June (ca. 12.30 CEST) 

Venue:  This is an on-site IRL meeting at the Ångström Laboratory, Uppsala University (Sweden) in the  Lecture hall Heinz-Otto Kreiss on the 1st floor in the new Ångström building ("House 10"). 

Multiscale modelling (coupling & linking of models) is a central theme in computer simulations/calculations and it is also a central theme of this meeting.  We will use the term multiscale in an open and inclusive sense at this meeting.   Likewise we welcome both physics-based and data-driven modelling approaches and their combinations. 

Registration is closed.  (see Registration in the menu above). Abstracts were very welcome - both for contributed orals and posters. The deadline for abstract submission was 16th May 2025. A poster can be accompanied by a  poster flash-talk (see the registration form)! It is of course also perfectly fine to participate without a presentation. For companies: There will also be room to host smallish exhibition stands.

The meeting is free of charge, including meals.  Accommodation is at participants' own expense but hotel rooms have been pre-booked with special conference rates. (See Hotels under Where to go? in the menu above). 

The scientific sessions on 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 and discussions plus the conference dinner; the meeting will end mid-day on Day 3. 

Keynote speakers 

• Lily Hunnisett (CCDC, Cambridge, UK)                 

    "The 7th international blind test of crystal structure prediction (from physics-based to AI)"

• Stefan Grimme (University of Bonn, DE)             

      "g-xTB: DFT accuracy at tight-binding speed"

• Frank De Proft (Vrije Universiteit Brussel, BE)  

      "Conceptual DFT"

• Petra Dalunde (RISE Research Institutes of Sweden)

        AI Factories -  a European AI initiative for academia and industry         

• Patrycja Polinska (Goodyear, LU)                         

         "Expensive physics simulations or problematic data - what's the way forward in industrial modelling?"

Invited speakers

• Martin Rahm (Chalmers)   "The electron density: a fidelity witness for Quantum Computation"  

• Rasmus Andersson (CEO and Founder, Compular)     "From scientific research to starting a software company – Challenges in building a multiscale modeling platform that industry will want to use"

•  Michael Busch       (Luleå Technical Univ)   "DFT meets industry: Insights into industrial chlorate production from first principles modelling" 

• Alexander Lyubartsev (Stockholm Univ)    "Bottom-up multiscale modelling: Coarse-graining with physics-based and ML methods" 

• Matthew Wolf         (RWTH Aachen Univ)    "Atomistic + continuum simulations to decipher chemistry of oxide defects"

•  Erik van Loon          (Lund Univ)     "All about U. How much do electrons in correlated solids interact?" 

• Maryna Pankratova (Univ of Skövde)   "Extracting magnetic interactions via deep learning" 

Conference themes

Multiscale modelling in its broadest sense cover many different topics and we welcome discussions and contributions on ... 

• Methods, models, codes

• Multiscale modelling  

• Physics-based or/and data-driven

• Batteries and energy materials

• Molecules and molecular systems

• Exciting modelling applications

• Industry—academia barriers (and how to overcome them)

• And more...

Information about Hotels and Travelling 

Go to "Where to go?" in the Menu bar

Support and context

This meeting is arranged within the Swedish national strategic e-science research programme eSSENCE in collaboration with the  European Materials Modelling Council (EMMC) and with colleagues from our sister programme SeRC.

The meeting is supported by:

 and is arranged in co-operation with: