Upcoming NOMAD Events

 

Interfacing Machine Learning and Experimental Methods  for Surface Structures (IMPRESS)
Graz University of Technology, Austria, July 11-13, 2018

Determining the structure of organic materials on surfaces is a fundamental and technologically important problem for both theoretical and experimental surface science. Machine learning methods has drastically changed the way structure determination is performed, since it facilitates the rational design of (new) experiments and the analysis of large amounts of data. The workshop will bring experimentalists and theorists together to learn and share expertise.

NOMAD Summer 2018 - A hands-on workshop on tools for novel materials discovery
CECAM-HQ-EPFL, Lausanne, Switzerland, September 24 - 27, 2018

NOMAD Summer will focus on making use of materials Big Data for novel materials discovery. In particular, this school will introduce both novice and advanced researchers in academia and industry to methods and practical tools developed by NOMAD. More information and application details available here.

 

Previous NOMAD Events

International Workshop on Machine Learning for Materials Science 2018 - Aalto Design Factory, Espoo, Finland, May 3 - 4, 2018

Sponsored by CECAM and NOMAD, this workshop brought together key scientific players to deepen understanding of materials science, computational physics, chemistry and machine learning. You can see the workshop program here.

 

NOMAD Encyclopedia Coding Party - Berlin, Germany, April 18 - 20, 2018 

The main focus of the party was on continuing the planning and implementation of Molecular Dynamics as a new methodology, and surfaces, including adsorbate systems, as new system types. The team also decided to do some refactorings in the codebase to ease these and future implementations.

NOMAD Infrastructure Hackathon - Berlin, Germany, April 16 - 18, 2018

The Hackathon focused on improving the Archive infrastructure, both from a user perspective and behind the scenes.

NOMAD Data Workshop 2 - LRZ, Garching near Munich, Germany, April 17 - 19, 2018

At this event, all NOMAD virtual-reality tools were showcased.

 

Harnessing the Potential of Open Data in Materials Science Webinar - March 22 2018

NOMAD and the Materials Project presented the hows and whys of sharing materials science research data, and how to derive the most value from these data through the application of enhanced modelling and big data analytics software.

NOMAD competition for transparent conducting oxides on kaggle

NOMAD held a crowd-sourced data-analytics competition with Kaggle, the most famous data science platform for predictive modelling and analytics competitions.

The challenge was to build predictive models for both formation and bandgap energies for a dataset, obtained by DFT calculations, consisting of binary, ternary and quaternary group-III oxides.  
The winners shared a prize of 5,000€ and were invited to NOMAD Summer 2018, the CECAM conference organized by NOMAD in Lausanne (September 2018).

Read more here.

NOMAD Industry Meeting - London, February 5 - 6, 2018

We hosted our third and final Industry Meeting, with representatives from a wide range of materials-driven industry present to hear about out latest work. For more, check out our second Industry Report.

Demonstration at the Virtual Reality Open Lab Day 2017 - LRZ, Garching near Munich, Germany, December 14, 2017

NOMAD virtual reality tools were on display for use by members of the general public.

LRZ Molecular Modeling with Schrödinger-Suite Workshop - Garching near Munich, Germany, December 5 - 7, 2017

During the workshop, NOMAD virtual-reality routines were demonstrated in the afternoon session on December 6, 2017.

 

Demonstration at the Open Day at the MPSD and Night of Knowledge - Hamburg, Germany, November 4, 2017

NOMAD virtual-reality tools were demonstrated to members of the general public.

NOMAD Virtual-Realty Tools Showcase at the LRZ Biology and Life Sciences, Summer of Simulation 2017 - Garching near Munich, Germany, October 25, 2017

 

Open Door Day of the Research Campus Garching - Technical University of Munich, October 21, 2017

NOMAD virtual reality routines were demonstrated at this public event.

NOMAD Summer - Berlin, Germany, September 25 - 29, 2017

NOMAD Summer was a hands-on course on tools for novel materials discovery, run in collaboration with Psi-k. The course was open to participants from both industry and academia.
Course materials are available here. You can see videos of the full lectures here

Big-Data Driven Materials Science - Academic Workshop II - Lausanne, Switzerland, September 11 - 13, 2017

Our second Academic Workshop, co-sponsored by CECAM, focused on Big-Data Driven Materials Science. 

NOMAD Encyclopedia Coding Party - Berlin, Germany, September 4 - 7, 2017

This coding party focused on planning and development activities for the NOMAD Encyclopedia and productive discussions with the Archive team. 

Hands-on workshop: Density-functional theory and beyond - accuracy, efficiency and reproducibility in computational materials science - Berlin, Germany, July 31 - August 11, 2017. 

This workshop, co-sponsored by Psi-k and CECAM, focused on novel materials discovery by learning from Electronic-Structure Theory. 

You can see videos of the full lectures here

 

2nd NOMAD Analytics Hackathon - Berlin, Germany, July 3 - 5, 2017

25 attendees in total joined to develop the following tools: a GUI for Elastic-Search queries over the Archive, a user-friendly browser of the json files resulting from a query over the Archive, a framework for allowing users to submit a job from an Analytics Toolkit notebook on an HPC cluster, a tool to present default, flexible statistics to users as part of query results, a framework for adding new metadata, a tool for handling “cube” files, containing volumetric data (scalar fields), an OpenKIM-Repository Interface for NOMAD, a Kubernetes-only deployment of the Archive and Analytics infrastructure, in order to prepare for transfer to cloud-like services, and a tool/tutorial for the prediction of band-gaps of crystals.

NOMAD Encyclopedia Coding Party - Berlin, Germany, June 26 - 27, 2017

This face-to-face Coding Party was dedicated to working together on the upcoming extensions of the Encyclopedia GUI and API, and plan our next steps. The Encyclopedia team also met colleagues from the Archive team to make sure that both sides interact most efficiently. 

NOMAD IMPRESS Workshop - Helsinki, Finland, June 7 - 9, 2017

The international workshop brought together experts in traditional atomistic structure search with experts on novel search techniques and machine learning to discuss applications on interface morphology, the performance of state-of-the-art techniques and outstanding challenges in the field.

PRACE-NOMAD Remote Visualization Workshop - Munich, Germany, April 24, 2017 

The workshop provided NOMAD with a detailed review of common remote visualization software stacks, focusing on tools allowing web-based interaction. A proof-of-concept software tool created by the speakers to address some issues which NOMAD will also need to tackle was demonstrated and provided for NOMAD use, study and inspiration. 

NOMAD Second Industry Meeting - Hamburg, Germany, February 6 - 7, 2017

We met with our industry colleagues in February 2017 to update them on our progress and gain their feedback on the tools we developed in the first 15 months of the project. You can read our report on the first 15 months here.

1st NOMAD Analytics Hackathon - Berlin, Germany, January 18 - 20, 2017

NOMAD together with the Berlin Big Data Center hosted the NOMAD Analytics Hackathon to develop new tools. Some of the tools developed were presented at the second Industry Meeting.

NOMAD Encyclopedia Coding Party - Berlin, Germany, January 9 - 13, 2017

Development of the NOMAD Encyclopedia is a complex task that requires an interdisciplinary team of people, with expertise in physics, chemistry, materials science, computer science, software engineering, user experience and web design. To effectively develop the Encyclopedia, face-to-face meetings and team-work are crucial. So, we had a Coding Party at HUB to program together and fine-tune the Encyclopedia.

Open Databases Integration for Materials Design - Leiden, The Netherlands, October 24 - 28, 2016

In the last few years, there has been a major game change in materials design. Thanks to the exponential growth of computer power and the development of robust first-principles electronic structure codes, it has become possible to perform large sets of calculations automatically. This is the burgeoning area of high-throughput ab initio computation. Such calculations have been used to create large databases containing the calculated properties of existing and hypothetical materials, many of which have appeared online. The aim of this workshop was to work in the direction of making these databases interoperational.

2016 CAMD Summer School on Electronic Structure Theory and Materials Design, Copenhagen, Denmark, August 14 - 19, 2016

The school taught PhD students from all over the world about basic and more advanced concepts in modern electronic structure theory, with an emphasis on the methodology applied “on-top” of ab initio calculations.

HoW exciting! Workshop and hands-on tutorial on excitations in solids - Berlin, Germany, August 3 - 11, 2016

HoW exciting! 2016 consisted of two closely related events, an international workshop and a hands-on tutorial about excitations in solids. The main goals of the workshop were to survey the state-of-the-art in computational approaches to describe different types of excitations, discuss future perspectives and establish collaborations between theoretical and experimental groups. The hands-on session offered young scientists the chance to put knowledge acquired from the workshop into practice.

Workshop on Big-Data-Driven Materials Science - Ringberg Castle, Germany, July 27 - 30, 2016

Big-Data in materials science is a multidisciplinary field that encompasses topics from theoretical and experimental Chemistry and Physics, computational science, mathematics and more. This meeting aimed to deepen existing collaborations and explore new ideas for cooperation.

NOMAD First Industry Meeting - Berlin, Germany, March 1 - 2, 2016

In March 2016, we held our first Industry Meeting to inform a variety of industries about the NOMAD Laboratory and to learn what types of tools they would like to see developed. You can read our report of the first Industry Meeting here.

Towards a Common Format for Computational Materials Science Data - NOMAD Academic Workshop - Lausanne, Switzerland, January 25 - February 4, 2016 

At this workshop, representatives of more than 20 leading material science simulation packages worked together on solving long-standing issues. You can read about the outcome of the workshop in this Psi-k Highlight. Our report Data formats and compression also describes our work on translating the data of all important codes into a standardized, code-independent, format.

Big Data of Materials Science - Critical Next Steps - Lausanne, Switzerland, November 30 - December 4, 2015

Using first-principles electronic-structure codes, a huge number of materials has been studied in recent years. The amount of already created data is immense. Thus, the field is facing the challenges of Big -Data, which are often characterized in terms of Volume (amount of information), Variety (heterogeneity of the form and meaning of the data), and Veracity (uncertainty of the data quality). The workshop brought together key scientists involved in developing and applying techniques for the production and storage of large amounts of first principles data and/or techniques for the analysis of such Big-Data.