Multiscale Modelling of Materials and Molecules 2017  will take place at the Biomedical Center of Uppsala University from 12th to 14th of June. We use the term multiscale in an open and inclusive sense. The meeting will be a mix of method/model-oriented contributions and timely applications. We will, for example, hear about how advanced  models for intermolecular interactions and clever energy landscape search algorithms can be used to predict crystal structures. We will listen to presentations from professional software developers - who are not only key persons in model/method developments but also possess ample experience in tackling the communication gaps, interest gaps and model gaps between what's needed and what's available. The training opportunities of CECAM and SeSe will be highlighted.

All  e-science actors and interested colleagues are warmly invited to participate and contribute!

This is the sixth meeting in an annual series arranged by the Swedish national strategic e-science research programme eSSENCE in collaboration with colleagues from our sister programme SeRC and the CECAM community. This year we will also be joined by some members from the  European Materials Modelling Council whose focus is to promote modelling and simulations in Europe, especially for experimental and industrial end-users. Also here a main concern is how to identify and remedy model shortcomings.

The meeting is free of charge, including all meals. The open 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 or mid-afternoon on Day 3.  

Keynote speakers:

 INFORMATICS...

*  Dr. James A. Warren  (Director, Materials Genome Program, NIST, USA)   "Materials informatics and the US Materials Genome Initiative"

*  Dr. Erich Wimmer  (Chief Scientific Officer, Materials Design S.A.R.L., France)   "Data and materials discovery: Perspectives from a  Software Company"

... MATERIALS  ...

*  Professor Seungwu Han (Seoul National University, South Korea)  "Interface research at the interface between fundamentals and industry:  Organic electronics and energy materials"

*  Dr. Anthony Reilly  (Dublin City University , Ireland)  "The role of van der Waals interactions in DFT, and crystal structure prediction"

... MOLECULES

*  Dr. Mate Erdelyi  (New chair professor in Organic Chemistry at UU)  "H-bonding, halide bonding, solvent effects and NMR spectroscopy: An experimental chemist's view on modelling"

*  Professor Ljupco Pejov  (Ss. Cyril and Methodius University, Macedonia) "Computational vibrational spectroscopy "

*  Professor Kenneth Ruud  (CTCC, University of Tromsø, Norway)   "Challenges of predicting molecular properties from ab initio calculations"

Registration is now open! (Deadline 17 May)

For more information, please see the workshop website: https://sites.google.com/site/emultiscale2017/