Shared metadata and data formats for Big-Data Driven Materials Science

Shared metadata and data formats for Big-Data Driven Materials Science: A NOMAD-FAIRDI workshop

IRIS Adlershof, Berlin, Germany, July 8th to 12th, 2019

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 PartTime 
Monday, July 8, 2019
I14:00Registration, coffee
I14:30Why metadata are essential for meeting FAIR principles, general concepts, experiences, and ontology
I14:30Luca Ghiringhelli (FHI Berlin, Germany)
Metadata towards FAIR data sharing for data-driven materials science: achievements and open challenges (PDF)
I15:15Patrick Lambrix (Linköping University, Sweden)
Introduction to ontologies and ontology engineering (PDF)
I16:00Coffee break
I16:30John Henry Scott (National Institute of Standards and Technology, USA)
Informatics Infrastructure for Data-Driven Materials Research at NIST (PDF)
I17:15Paul Saxe (The Molecular Science Software Institute, USA)
The MolSSI, standards and interoperability: a fair start (PDF)
Tuesday, July 9, 2019
I09:00Specific experiences and needs from key data bases for hard and soft materials
I09:00Stefano Curtarolo (Duke University, USA)
From meta-data to meta-properties with only a bit of meta-physics (PDF)
I09:45Shyam Dwaraknath (Materials Project, Lawrence Berkeley National Laboratory, USA)
Reverse engineering metadata for the Materials Project (PDF)
I10:30Giovanni Pizzi (EPFL, Swiss)
Data and metadata in AiiDA and the Materials Cloud (PDF)
I11:15Coffee break
I11:30Ron Miller (Carlton University, Canada)
The openKIM project: reproducibility, portability and metadata standards in molecular simulation (PDF)
I12:15Jörg Schaarschmidt (KIT Karlsruhe, Germany)
Challenges and opportunities in using workflow technology for reproducible and reusable simulation protocols (PDF)
I13:00Lunch break
I14:00Gian-Marco Rignanese (UCLouvain, Belgium)
OPTiMaDe: a REST API for quering materials databses (PDF)
I14:15Adam Fekete (UK)
ABCD: a data base for atomistic configurations (PDF)
I14:30Open questions and needs from hard and soft materials
I14:30Discussion on Ab initio methods
Moderation by Micael Oliveira (MPSD, Hamburg, Germany) (PDF)
I16:00Coffee break
I16:30Discussion on Molecular mechanics
Moderation by James Kermode (Warwick University, UK) (PDF)
Wednesday, July 10, 2019
I09:00Breakout session Drafting a memorandum of understanding / publication on metadata in computational materials research
Moderation by Matthias Scheffler (FHI, Berlin, Germany)
I11:15Coffee break
I11:30Breakout session continuted
I13:00Lunch break
II14:30Metadata in experimental materials science
II14:30Stefano Cozzini (CNR/IOM uos Democritos c/o SISSA)
The Challenge to define and use a metadata schema within the NFFA-EUROPE project (PDF)
II15:15Markus Scheidgen (HU Berlin, Germany)
Meta-data for FAIR and Domain-Aware Data Sharing (PDF)
II16:00Coffee break
 19:00Social dinner
Asteria Köpenik, Alt-Köpenik 6, 12555 Berlin
Thursday, July 11, 2019
II09:00Characterization of samples and their history
II09:00Chris Eberl (Fraunhofer Institute for Mechanics of Materials, Germany)
Digital transformation in materials science and the role of a common ontologie (PDF)
II09:45Rolf Krahl (Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany)
Using ICAT for Research Data Management at HZB (PDF)
II10:30Mark Greiner (MPI for Chemical Energy Conversion, Germany)
Information models for distributed and mobile experimental research (PDF)
II11:15Coffee break
II11:30Annette Trunschke (FHI, Berlin, Germany)
Specifics of metadata and design of experiment in heterogeneous catalysis research (PDF)
II12:15Tom Mertens (Helmholtz-Zentrum Berlin Accelerator Physics, Germany)
Metadata at BESSY II (PDF)
II13:00Lunch break
II14:30Experimental techniques and their specific challenges
II14:30Cecile Hebert (EPFL, Swiss)
Can we learn learn from other communities and make Analytical TEM data FAIR? (PDF)
II15:15Andy Stewart (University Limerick, Ireland)
TEM data is not FAIR, how to make it play well with others?| (PDF)|
II16:00Coffee break
II16:15Markus 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)
II17:00Christof Wöll (KIT Karlsruhe, Germany)
Digitalization of Materials Science: Challenges and Prospects
Friday, July 12, 2019
II09:00Round Table Discussion
II09:00Discussion 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