https://NOMAD-CoE.

eu homepage

The Novel Materials Discovery (NOMAD)

Laboratory maintains the largest Repository
for Input and Output files of all important
Computational Materials Science Codes.
From its open-access data it builds several
Big-Data Services helping to advance
materials science and engineering.
NOMAD
structure and use cases
 NOMAD Repository
Organize And Share Materials Data

The NOMAD Repository accepts (and

requests) in- and output files of all
important codes. Currently, the NOMAD
Repository contains 3,350,745 entries.

https://repository.nomad-coe.eu
also described at youtube.com

Data is the raw material for the 21st

century.
 NOMAD Repository
Organize And Share Materials Data

The NOMAD Repository accepts (and

requests) in- and output files of all
important codes. Currently, the NOMAD
Repository contains 3,350,745 entries.

There are 30-40 important codes used in

https://repository.nomad-coe.eu
also described at youtube.com
Data is the raw material for the 21st
century.
computational materials science.
Nomenclature, data representation, and
file formats of the input and output files
of these codes are different. The
heterogeneity could hardly be worse.
 The NOMAD
NOMAD Laboratory Archive
Code-Independent
A EuropeanSoCentre
Data Representation That Allof Excellence
Data Can Be Used for Analytics

The NOMAD Repository accepts (and

requests) in- and output files of all
important codes. Currently, the NOMAD
Repository contains 3,150,745 entries.

Conversi
o n Layer
https://repository.nomad-coe.eu
also described at youtube.com

Data is the raw material for the 21st

century.
 The NOMAD
NOMAD Laboratory Archive
Code-Independent
A EuropeanSoCentre
Data Representation That Allof Excellence
Data Can Be Used for Analytics

The NOMAD Repository accepts (and

requests) in- and output files of all
important codes. Currently, the NOMAD
Repository contains 3,150,745 entries.

Conversi
o n Layer
https://repository.nomad-coe.eu
also described at youtube.com

Data is the raw material for the 21st

century.
 NOMAD Encyclopedia
NOMAD Encyclopedia
A web-based public infrastructure

The Encyclopedia allows users to see, compare,

explore, and understand the data.
 NOMAD Encyclopedia
NOMAD Encyclopedia
A web-based public infrastructure
The NOMAD Encyclopedia provides a materials-
oriented view on the Archive data. Whatever
property of a given material has been computed, is
easily accessible through a user-friendly graphical
user interface. This spans from structural features,
to mechanical behavior, thermal properties,
electronic structure, transport characteristics, and
the response to light and other excitations.
Online May 1, 2017
The Encyclopedia allows users to see, compare,
explore, and understand the data.
 NOMAD Big-Data Analytics Toolkit
Identify Correlations and Structure in The Archive Data

Rock Salt
Properties of free, neutral atoms
EXAMPLE:
Structure map of AB binary
Zincblende semiconductors, obtained with
a compressed-sensing
algorithm.
Result can be (re)obtained at:
https://
analytics-toolkit. nomad-coe.e
u/
Enable scientists and engineers
to identify materials for poten-
tial use in novel products or for
more detailed study.
 NOMAD Advanced Graphics
Seeing Helps Understanding

Enable comprehensive analysis and interact- EXAMPLE:

tive visualization of molecular simulations. Visualizing CO2 adsorption
• Infrastructure for remote visualization of at a CaO(001) surface
NOMAD data
• Virtual reality
environment
for immersive
data exploration,
training and
dissemination.
https://
www.youtube.com/watch?v
=bNKjnonLP0s
 https://NOMAD-CoE.eu
General
Repository
Archive
Materials Encyclopedia
Big-Data Analytics Toolkit
Advanced Graphics
Industry Networking and Use Cases
Contacts
Matthias Scheffler, scheffler@fhi-berlin.mpg.de
Kylie O’Brien, kylie.obrien@pintailservices.com
Matthias Scheffler, scheffler@fhi-berlin.mpg.de
Claudia Draxl, claudia.draxl@physik.hu-berlin.de
Fawzi Mohamed, fawzi.mohamed@fhi-berlin.mpg.de
Claudia Draxl, claudia.draxl@physik.hu-berlin.de
Luca Ghiringhelli, ghiringhelli@fhi-berlin.mpg.de
Rubén García Hernández, garcia@lrz.de
Alessandro De Vita, alessandro.de_vita@kcl.ac.uk
Angel Rubio, angel.rubio@mpsd.mpg.de
 https://NOMAD-CoE.eu Contacts

General Matthias Scheffler, scheffler@fhi-berlin.mpg.de

Kylie O’Brien, kylie.obrien@pintailservices.com
Repository Matthias Scheffler, scheffler@fhi-berlin.mpg.de
Claudia Draxl, claudia.draxl@physik.hu-berlin.de
Archive Fawzi Mohamed, fawzi.mohamed@fhi-berlin.mpg.de
Materials Encyclopedia Claudia Draxl, claudia.draxl@physik.hu-berlin.de
Big-Data Analytics Toolkit Luca Ghiringhelli, ghiringhelli@fhi-berlin.mpg.de
Advanced Graphics Rubén García Hernández, garcia@lrz.de
Industry Networking and Use Cases Alessandro De Vita, alessandro.de_vita@kcl.ac.uk
Angel Rubio, angel.rubio@mpsd.mpg.de

NOMAD has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 676580.