Workshop Program
This program shows the Computational Materials (Part I) as well as the Experimental Materials (Part II) part of the workshop about "Common Format for Materials Science Data". Which part the items on the agenda belong to is marked in the first column.
The program will be continuously updated.
| WS Part | Time | |||
| Monday, July 8, 2019 | ||||
| I | 14:00 | Registration, coffee | ||
| I | 14:30 | Why metadata are essential for meeting FAIR principles, general concepts, experiences, and ontology | ||
| I | 14:30 | Luca Ghiringhelli (FHI Berlin, Germany) Metadata towards FAIR data sharing for data-driven materials science: achievements and open challenges (PDF) | ||
| I | 15:00 | Discussion | ||
| I | 15:15 | Patrick Lambrix (Linköping University, Sweden) Introduction to ontologies and ontology engineering (PDF) | ||
| I | 15:45 | Discussion | ||
| I | 16:00 | Coffee break | ||
| I | 16:30 | John Henry Scott (National Institute of Standards and Technology, USA) Informatics Infrastructure for Data-Driven Materials Research at NIST (PDF) | ||
| I | 17:00 | Discussion | ||
| I | 17:15 | Paul Saxe (The Molecular Science Software Institute, USA) The MolSSI, standards and interoperability: a fair start (PDF) | ||
| I | 17:45 | Discussion | ||
| I | 18:00 | Reception | ||
| Tuesday, July 9, 2019 | ||||
| I | 09:00 | Specific experiences and needs from key data bases for hard and soft materials | ||
| I | 09:00 | Stefano Curtarolo (Duke University, USA) From meta-data to meta-properties with only a bit of meta-physics (PDF) | ||
| I | 09:30 | Discussion | ||
| I | 09:45 | Shyam Dwaraknath (Materials Project, Lawrence Berkeley National Laboratory, USA) Reverse engineering metadata for the Materials Project (PDF) | ||
| I | 10:15 | Discussion | ||
| I | 10:30 | Giovanni Pizzi (EPFL, Swiss) Data and metadata in AiiDA and the Materials Cloud (PDF) | ||
| I | 11:00 | Discussion | ||
| I | 11:15 | Coffee break | ||
| I | 11:30 | Ron Miller (Carlton University, Canada) The openKIM project: reproducibility, portability and metadata standards in molecular simulation (PDF) | ||
| I | 12:00 | Discussion | ||
| I | 12:15 | Jörg Schaarschmidt (KIT Karlsruhe, Germany) Challenges and opportunities in using workflow technology for reproducible and reusable simulation protocols (PDF) | ||
| I | 12:45 | Discussion | ||
| I | 13:00 | Lunch break | ||
| I | 14:00 | Gian-Marco Rignanese (UCLouvain, Belgium) OPTiMaDe: a REST API for quering materials databses (PDF) | ||
| I | 14:10 | Discussion | ||
| I | 14:15 | Adam Fekete (UK) ABCD: a data base for atomistic configurations (PDF) | ||
| I | 14:20 | Discussion | ||
| I | 14:30 | Open questions and needs from hard and soft materials | ||
| I | 14:30 | Discussion on Ab initio methods Moderation by Micael Oliveira (MPSD, Hamburg, Germany) (PDF) | ||
| I | 16:00 | Coffee break | ||
| I | 16:30 | Discussion on Molecular mechanics Moderation by James Kermode (Warwick University, UK) (PDF) | ||
| Wednesday, July 10, 2019 | ||||
| I | 09:00 | Breakout session Drafting a memorandum of understanding / publication on metadata in computational materials research Moderation by Matthias Scheffler (FHI, Berlin, Germany) | ||
| I | 11:15 | Coffee break | ||
| I | 11:30 | Breakout session continuted | ||
| I | 13:00 | Lunch break | ||
| II | 14:30 | Metadata in experimental materials science | ||
| II | 14:30 | Stefano Cozzini (CNR/IOM uos Democritos c/o SISSA) The Challenge to define and use a metadata schema within the NFFA-EUROPE project (PDF) | ||
| II | 15:00 | Discussion | ||
| II | 15:15 | Markus Scheidgen (HU Berlin, Germany) Meta-data for FAIR and Domain-Aware Data Sharing (PDF) | ||
| II | 15:45 | Discussion | ||
| II | 16:00 | Coffee break | ||
| II | 16:15 | Discussion | ||
| 19:00 | Social dinner Asteria Köpenik, Alt-Köpenik 6, 12555 Berlin | |||
| Thursday, July 11, 2019 | ||||
| II | 09:00 | Characterization of samples and their history | ||
| II | 09:00 | Chris Eberl (Fraunhofer Institute for Mechanics of Materials, Germany) Digital transformation in materials science and the role of a common ontologie (PDF) | ||
| II | 09:30 | Discussion | ||
| II | 09:45 | Rolf Krahl (Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany) Using ICAT for Research Data Management at HZB (PDF) | ||
| II | 10:15 | Discussion | ||
| II | 10:30 | Mark Greiner (MPI for Chemical Energy Conversion, Germany) Information models for distributed and mobile experimental research (PDF) | ||
| II | 11:00 | Discussion | ||
| II | 11:15 | Coffee break | ||
| II | 11:30 | Annette Trunschke (FHI, Berlin, Germany) Specifics of metadata and design of experiment in heterogeneous catalysis research (PDF) | ||
| II | 12:00 | Discussion | ||
| II | 12:15 | Tom Mertens (Helmholtz-Zentrum Berlin Accelerator Physics, Germany) Metadata at BESSY II (PDF) | ||
| II | 12:45 | Discussion | ||
| II | 13:00 | Lunch break | ||
| II | 14:30 | Experimental techniques and their specific challenges | ||
| II | 14:30 | Cecile Hebert (EPFL, Swiss) Can we learn learn from other communities and make Analytical TEM data FAIR? (PDF) | ||
| II | 15:00 | Discussion | ||
| II | 15:15 | Andy Stewart (University Limerick, Ireland) TEM data is not FAIR, how to make it play well with others?| (PDF)| | ||
| II | 15:45 | Discussion | ||
| II | 16:00 | Coffee break | ||
| II | 16:15 | Markus Kühbach (MPI für Eisenforschung, Germany) Towards Efficient Open Source File Formats for the Atom Probe Tomography Experimentalist and the Full-Field Mesoscopic Scale Microstructure Evolution Modeling Communities (PDF) | ||
| II | 16:45 | Discussion | ||
| II | 17:00 | Christof Wöll (KIT Karlsruhe, Germany) Digitalization of Materials Science: Challenges and Prospects | ||
| II | 17:30 | Discussion | ||
| Friday, July 12, 2019 | ||||
| II | 09:00 | Round Table Discussion | ||
| II | 09:00 | Discussion moderated by Christoph Koch Drafting a memorandum of understanding / publication on metadata in experimental materials research | ||
Page last modified on July 15, 2019, at 04:44 PM EST