The meeting will take place in the Siegbahn hall at the Ångstrom Laboratory (see map) located in the Ångström-ITC Campus area. 

Poster presentations: The boards for the poster presentations are 140 cm high and 100 cm wide, which will fit an A0 sized poster (118.9 cm by 84.1 cm) in portrait orientation (long side vertical). All materials necessary to hang the posters will be provided by the organisers.

The preliminary time schedule (version 10 June 2018) is as follows.  Note:
45-minute presentations include                  10 minutes for discussion.
30-minute presentations include            5- 10 minutes for discussion.
20-minute presentations include                   5 minutes for discussion.

MONDAY 11 June

11.30-13:00     Registration outside the Siegbahn hall


13.00-13.20     Welcome + purpose of the workshop  (Kersti Hermansson)


Session 1:      Data and/or physics?   I

13.20-14.00     Jens Berg   (Uppsala U) "Introduction to machine learning +Data-driven discovery of governing equations"

14.00-ca. 14.10     Welcome address by Johan Tysk (Vice-rector of S & T at UU)

14.10-14.40      David van der Spoel  (Uppsala U) "Physics + Data = Models"


Session 2:      Insight from electrons

14.40-15.10       Elsebeth Schröder  (Chalmers UoT) "Fundamental insights from non-local correlation of electrons"

15.10-15.30       Silvia Gallego  (CSIC, Madrid) "Towards a multiscale model of magnetic exchange: the case of spinel ferrites"

15.30-15.50       Coffee


Session 3:      Coupling & linking ("Multiscale modelling")

15.55-16.40      Vladimir Lobaskin   (U College Dublin) "Multiscale modelling of BioNano interfaces"

16.40-17.00      Georg Schmitz       (Access e.V., Aachen) "Interactions between discrete (electronic/atomistic/meso) and continuum models of microstructures"

17.00-17.20       Daniel Höche      (Helmholtz-Zentrum Geesthacht) "Multiscale modelling of corrosion in reinforced concrete structures"

17.20-17.40       Vladimir Rybkin   (U Zürich)  "Density Functional Embedding Theory: a Gaussian and Plane-waves Implementation for the Condensed Phase"

 

17.40-17.55      Further discussions of & impressions from Sessions 1-3 (led  by the three chairmen).


18.00-19.00     Posters micro presentations

19.00-20.00     Poster session and mingle


20.00-               Buffet dinner at Ångström  (with some reflective comments from Magnus Ullner, LU)


TUESDAY 12 June


Session 4:      Data and/or physics?   II

9.00-  9.45        Luca Ghiringhelli   (Fritz Haber Institute, Berlin) "Novel materials discovery: big-data-analytics methods and infrastructure for building maps of materials"

9.45-10.30        Michele Ceriotti    (EPFL, Lausanne) "Machine learning like a physicist"


10.30-10.50      Coffee (the posters are available)


Session 5:      Industrial perspectives

10.50-11.10       Bart Rijksen (Dow Chemicals)

11.10-11.30        Manuel Sparta (Teknova AS, NORCE) "Physics-based models within industrial metallurgy and opportunities for data-driven modelling"

11.30-11.50       James Goddin (GrantaDesign)

11.50-12.10       Fredrik Hedman  (Noruna AB) "Computational Science needs Lean and Agile"

 

12.10-13.40       Lunch at Eklundshof


Session 6:      Data and/or physics?   III

13.40-14.25      Michael Probst  (U of Innsbruck) "Accuracy vs. insight"

14.25-15.10       Seungchul Kim (Korean Inst of Science&Techonology, Seoul)    "KIST's dream of an R&D informatics platform"


15.10- 15.40      Further discussions of & impressions from Sessions 4-6 (led  by the three chairmen).

                         

15.40-16.00       Coffee (the posters are available)


Panel discussion

16.00-17.30       Panel discussion  "Physics-driven vs. data-driven"


19.00                   Dinner  at Norrland's Nation downtown


WEDNESDAY 13 June


Session 7:      Towards force-fields for complex systems

9.00-  9.20       Martin Horsch  (American U of Iraq, Sulaimani)   "Multicriteria optimization for user-adjustable molecular force fields"

9.20-9.40         Dirk Reith   (Fraunhofer Inst for Algorithms and Sci Comp, DE)  "Automated Global and Local Optimization Methods for Atomistic Force-Field Development"


Session 8:      ... and the future

9.40-  10.10       Itai Panas  (Chalmers UoT)    "In anticipation of the unknown"

10.10-10.50      Coffee  +  PhD student panel discussion (open to all)           (the Siegbahn Hall)

                                           in parallel with 

                            Coffee  +  "The Annual meeting of Theor Chem. Section of the Sw. Chemical Soc."      (Peter Ahlström)    (Room 4001)


10.50-11.10       Report from PhD students' panel discussion

11.10-11.50        Aatto Laaksonen (SU, UU)     "MODA+EMMO: EU-supported  nomenclature to assist and systematize model development"

11.50-12.10       Peter Kusalik  (U of Calgary, Canada)     “Big Data and Machine Learning: A Path to Physical Insight”

12.10- 12.25     Further discussions of & impressions from Sessions 7-8 (led by the two chairmen).


12.25-12.40     Conclusions + Closing of the workshop

12. 40               Lunch sandwiches


= = = = = = = = = = = =


13.15 -15.00    Open EMMC session on the Preparation of recommendations and report for the European Commission