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Workshop Program
Scientific Committee
Abstract Submission
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SimPhoNy and EUMMC Meetings
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Pictures from the workshop
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Workshop program

Wednesday 27th May
19:00 Registration and reception (cocktail)
Thursday 28th May
08:45 Workshop registration
8:45 - 9:15
09:15 Welcome & announcements
9:15 - 9:30
09:30 Session 1: Application of Multiscale and Multiphysics Modeling in Material Science (chair H. Preisig)

P. Asinari (Invited talk): Standardization of Multiscale Materials Modelling Vocabulary (30 min)

G. Schmitz (ICMEg): Microstructure modelling in ICME settings (20 min)

J. Hyväluoma (SimPhoNy): Multiscale simulations with LBM: dimensional analysis and time-scales (20 min)

P. Khomyakov (DEEPEN): Strained InGaAs ternary alloys and large-scale atomistic calculations (20 min)
11:00 Coffee break
11:00 - 11:30
11:30 Session 2: Organizing and storing data (chair T. Hagelien)
11:30 - 12:50

A. Gulans (Invited talk): NoMaD repository (40 min)

E. O'Reilly (DEEPEN): Databases and validation for modelling of III-N Electronic and Photonic Devices (20 min)

J. Adler (SimPhoNy): Visualization of electronic density of nanotube with AViz (20 min)
12:50 Lunch
12:50 - 13:50
13:50 Session 3: Data structures for interoperability (chair E. Coenen)
13:50 - 15:40

G. Schmitz (ICMEg): The hierarchical data format HDF5 (40 min)

A. Hashibon (SimPhoNy): CUDS and Vocabulary in the SimPhoNy Integrated Framework (30 min)

F. Sacconi (DEEPEN): HDF5 File-based interoperability for multiscale and multiphysics modelling (20 min)

Discussion (20 min)
15:40 Coffee break
15:40 - 16:00
16:00 Session 4: From data structures to modelling platforms (chair E. O'Reilly)
16:00 - 18:00

T. Haelien (NanoSim): Porto, metadata and MongoDB data storage in NanoSim (40 min)

H. Rusche (MoDeNa): The MoDeNa multi-scale simulation software framework (20 min)

E. Coenen (MMP): Multi-scale modelling and simulations: a distributed and open-source platform (20 min)

Discussion on multiscale cluster proposals on metadata (40 min)
19:30 Workshop dinner

19:30 - 22:00
Friday 29th May
09:00 Session 5: Integration approaches and techniques (chair A. Hashibon)
9:00 - 10:40

A. Cepellotti (Invited talk): AiiDA framework and integration (40 min)

B. Patzák (MMP): On Design of MMP Multiscale Modelling Platform (20 min)

H. Preisig (MoDeNa) Structured Ontology for Controlled Physical Processes (40min)
10:40 Coffee break
10:40 - 11:10
11:10 Session 6: Working on Proposal (chair Georg Schmitz and Gerhard Goldbeck)
11:10 - 12:30

Open panel discussion on cluster and platform proposal (50 min)

Closure of the workshop, next workshop (30 min)