NOMAD CoE
Past Events
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2022

MPCDF Advanced HPC workshop
Workshop
DATE: November 22-24, 2022
LOCATION: Garching, Germany

The MPCDF "Advanced HPC workshop" (for MPG and NOMAD, in collaboration with Nvidia and Intel) has been scheduled for Nov 22-24, 2022. There will be 1.5 days of tutorials and 1.5 days of "code camp".

MPCDF Advanced HPC workshop
ELPA: Challenges and Advances in Solving Eigenproblems for Electronic-Structure Theory
Workshop
DATE: November 16-18, 2022
LOCATION: CECAM-HQ-EPFL, Lausanne, Switzerland

Bringing eigensolvers and electronic-structure codes to exascale architectures requires further, considerable community efforts in the coming years. To facilitate and coordinate these efforts, this workshop aims at bringing together the key players from different fields.

ELPA: Challenges and Advances in Solving Eigenproblems for Electronic-Structure Theory
Python for HPC
DATE: November 15-17, 2022
LOCATION: Zoom (online)

The MPCDF course "Python for HPC" teaches strategies to write well-performing Python code suitable for HPC environments. The online lectures focus on performance-related topics such as NumPy, Cython, Numba, compiled C- and Fortran extensions, profiling of Python and compiled code, parallelism using multiprocessing, mpi4py, dask and ray, and efficient IO with HDF5. In addition, topics related to software-engineering are covered such as packaging, publishing, testing, and the semi-automated generation of documentation. Finally, basic visualization workflows using matplotlib and related topics are discussed. The lectures will take place in the morning from 9:00 to 13:00, and the exercises will be discussed in the later afternoon starting from 16:00.

CSC Training Workshop: GPU programming with HIP
Workshop
DATE: November 10-11, 2022
LOCATION: CSC Training Facilities, Keilaranta 14 02100 Espoo, Finland

This course gives basic to intermediate level knowledge on HIP programming. It starts with a basic introduction to writing GPU applications using HIP. Then, building on this, more advanced topics are introduced. These enable one to write efficient HIP applications, including asynchronous execution with streams, utilizing performance tools and how to write efficient kernels. Finally multi-GPU programming and application designed will be discussed.

NOMAD CoE Colloquium
DATE: November 10, 2022 TIME: 16:15 CET
SPEAKER(S): Professor Weitao Yang
LOCATION: Humboldt-Universität zu Berlin

We kindly invite you to an in-person Colloquium of the NOMAD Center of Excellence by Weitao Yang (Duke University) on November 10, 2022, at 4:15 pm CET at the 0'119 lecture hall of the Erwin Schrödinger Zentrum (ESZ) in Berlin Adlershof. The title of the event is as follows: "Density Functional Theory: Correcting Systematic Errors and Predicting Photoemission and Photoexcitation Spectroscopy from Ground State Calculations"

NOMAD CoE Colloquium
PATC: Parallel Programming Workshop
Workshop
DATE: October 24 - 28, 2022
LOCATION: C6-E101, UPC premises and online via Zoom

The objectives of this course are to understand the fundamental concepts supporting message-passing and shared memory programming models. The course covers the two widely used programming models: MPI for the distributed-memory environments, and OpenMP for the shared-memory architectures. The course also presents the main tools developed at BSC to get information and analyze the execution of parallel applications, Paraver and Extrae. 

MNHACK22: 4th MareNostrum Hackathon
Hackathon
DATE: October 17-19, 2022
LOCATION: BSC Building Auditorium (Floor -1)

Topics: We can help on optimizing applications using a variety of programming models. We also have mentors from many disciplines, including computer scientists and domain scientists. We will make sure we have the right mentors for you in case your application is selected. Note that this is not a GPU-only hackathon.

Charting Large Materials Dataspaces: AI Methods and Scalability
Workshop
DATE: October 10, 2022
LOCATION: CECAM-HQ-EPFL, Lausanne, Switzerland

In this workshop, experts will interact to confront ideas and solutions for performing flexible, interactive, efficient, and insightful analyses of materials databases.

 Charting Large Materials Dataspaces: AI Methods and Scalability
Co-Design for HPC in Computational Materials and Molecular Science
Workshop
DATE: October 3-5, 2022
LOCATION: CECAM-HQ-EPFL, Lausanne, Switzerland

The workshop will gather contributions from leading scientists, technologies, and SW engineers from the fields of  academia, HPC centres, HW-vendors, and industry. The workshop covers a broad range of current topics, taking materials and molecular science codes as reference HPC applications and possible co-design vehicles. 

Co-Design for HPC in Computational Materials and Molecular Science
TU Wien Hackathon
Hackathon
DATE: September 14-16, 2022
SPEAKER(S): Andreas Grueneis
LOCATION: Vienna, Austria
TU Wien Hackathon
PUMPS+AI Summer School 2022 at BSC
School
DATE: September 5-9, 2022
LOCATION: Barcelona, Spain

The 12th edition of the Programming and Tuning Massively Parallel Systems + Artificial Intelligence summer school (PUMPS+AI) is aimed at enriching the skills of researchers, graduate students and teachers with cutting-edge technique and hands-on experience in developing applications for many-core processors with massively parallel computing resources like GPU accelerators.

PUMPS+AI Summer School 2022 at BSC
NOMAD Exploitation Workshop
DATE: August 18, 2022
LOCATION: Berlin, Germany
NOMAD Exploitation Workshop
3rd NOMAD Project Meeting
DATE: August 16-18, 2022
LOCATION: Berlin, Germany
3rd NOMAD Project Meeting
Modeling Materials at Realistic Space and Time Scales via Optimal Exploitation of Exascale Computers and Artificial Intelligence
Workshop and tutorial
DATE: July 25-29, 2022
LOCATION: Berlin, IRIS Adlershof

This flagship workshop and associated hands-on tutorial school will focus on recent important developments, addressing exascale computing and artificial intelligence (AI) methods with a specific focus on urgent topics for materials science.

The workshop hence aims at updating the audience about new and upcoming possibilities. For this, we will have lectures from top HPC centers from Europe, USA and Japan. In particular, we will address how exascale computing can help materials modeling in terms of higher accuracy and precision, and more controlled scale bridging. We will also discuss advancements of AI methods and exascale workflows.

 Modeling Materials at Realistic Space and Time Scales via Optimal Exploitation of Exascale Computers and Artificial Intelligence
Conference on A FAIR Data Infrastructure For Materials Genomics 2022
Conference
DATE: July 12-15, 2022
LOCATION: Online

Welcome to the second International FAIR-DI Conference on a FAIR Data Infrastructure for Materials Genomics (2022) in Shanghai!

Conference on A FAIR Data Infrastructure For Materials Genomics 2022
NOMAD - Industry workshop
DATE: June 24-25, 2022
LOCATION: Berlin, Germany
NOMAD - Industry workshop
Hackathon in Riga
Hackathon
DATE: June 16-21, 2022
LOCATION: Riga, Latvia
  • Developing electronic-structure codes and libraries (mainly WP2 and WP8, but also WP1 and WP3)
  • One-day tutorial (Performance analysis tools for applications in high-performance computing) with participation of local researchers
Hackathon in Riga
Quantum Chemistry Methods for Materials Science
Workshop
DATE: June 8-10, 2022
LOCATION: CECAM-HQ-EPFL, Lausanne, Switzerland

The central goal of the workshop is to discuss the state of the art and challenges of using quantum chemistry methods in materials science, to share the recent progresses in quantum chemistry, and to deepen the coalescence of two communities: molecular quantum-chemistry and solid state physics.

In addition, this workshop will focus on the computer implementation of massive parallel algorithms to perform quantum chemical calculations on modern supercomputers. This workshop will bring together some of the world's leading experts in the development of massively parallel algorithms for quantum chemistry calculations to foster cooperation and catalyze scientific software innovation.

 Quantum Chemistry Methods for Materials Science
Open Databases Integration for Materials Design
Workshop
DATE: May 30 - June 3, 2022
LOCATION: CECAM-HQ-EPFL, Lausanne, Switzerland

The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperable by developing a specification for a common REST API.

With the support of CECAM, the OPTIMADE consortium holds annual workshops to discuss and develop the specification and related ideas. The latest 2022 workshop will be held in the CECAM HQ at the EPFL in Lausanne, Switzerland, between May 30 and June 3, 2022.

Open Databases Integration for Materials Design
10th ABINIT International Developer Workshop - Part 2
Workshop
DATE: May 16-19, 2022
LOCATION: Guidel-Plages (France)

The ABINIT developer workshops form a series of events crucial for the community of ABINIT developers (see http://www.abinit.org), organized every two years. A unique occasion for most developers to acquire or maintain a global view of the project and stay up to date with the latest capabilities, planned developments, and overall strategy. The 2022 event specifically focuses on in-person small group discussions, thematic discussions, informal discussions, hackathons, etc. that strongly missed during the COVID pandemics.

10th ABINIT International Developer Workshop - Part 2
FAIRmat Tutorial 4: NOMAD Oasis and FAIR Data Collaboration and Sharing
Tutorial
DATE: May 11-12, 2022 TIME: 15:00-18:00 & 10:00-18:00 CEST
LOCATION: zoom

11 May, 15:00 CEST Overview Talk by Claudia Draxl
11 May, 15:45-18:00 CEST & 12 May 10:00-12:00 and 16:00-18:00 CEST Hands-on Tutorial by Markus Scheidgen

FAIRmat Tutorial 4: NOMAD Oasis and FAIR Data Collaboration and Sharing
BIGmax (Max Planck Network on Big-Data Driven Materials Science) Spring Meeting 2022
Workshop
DATE: April 11-13, 2022
LOCATION: University Conference Centre in Bochum, Germany

The BiGmax Workshop 2022 on Big-Data-Driven Materials Science will be held at the University Conference Centre in Bochum from April 11 - 13, 2022.

The workshop is aimed at presenting results and new insights into data-driven materials science. Those can be based on approaches in statistical and machine learning, compressed sensing and other recent technologies from mathematics, computer science, statistics and information technology.

BIGmax (Max Planck Network on Big-Data Driven Materials Science) Spring Meeting 2022
FAIRmat Tutorial 3: Introduction to the Artificial-Intelligence Toolkit
Tutorial
DATE: April 6-7, 2022 TIME: 15:00-18:00 & 10:00-18:00 CEST
LOCATION: zoom

06 April, 15:00 CEST Overview Talk by Sergei V. Kalinin
06 April, 15:45-18:00 CEST & 07 April 10:00-12:00 and 16:00-18:00 CEST Hands-on Tutorial by Luca Ghiringhelli and Luigi Sbailò

FAIRmat Tutorial 3: Introduction to the Artificial-Intelligence Toolkit
Theoretical Spectroscopy Lectures
DATE: March 21-25, 2022
LOCATION: CECAM-HQ-EPFL, Lausanne, Switzerland
Theoretical Spectroscopy Lectures
FAIRmat Tutorial 1: Publish and Explore Data with NOMAD
Tutorial
DATE: February 9-10, 2022 TIME: 15:00-18:00 & 10:00-18:00 CET
LOCATION: zoom

09 Feb, 15:00 CET: Overview Talk by Matthias Scheffler
09 Feb, 15:45-18:00 CET & 10 Feb 10:00-12:00 CET and 16:00-18:00 CET: Hands-on Tutorial by Markus Scheidgen

FAIRmat Tutorial 1: Publish and Explore Data with NOMAD
NOMAD's Midsummer School 2022 in Riga: Towards exascale solutions in Green function methods and advanced DFT
School
DATE: Cancelled
LOCATION: University of latvia, Riga, Latvia

cancelled

NOMAD's Midsummer School 2022 in Riga: Towards exascale solutions in Green function methods and advanced DFT

2021

High-throughput workflows for materials science with the Atomic Simulation Environment and Fire-works
Workshop and hackathon
DATE: November 15-19, 2021
LOCATION: Technical University of Denmark, Lyngby, Denmark

Combined Workshop and Hackathon

High-throughput workflows for materials science with the Atomic Simulation Environment and Fire-works
FAIR-DI workshop 2021 on the topic of a FAIR data infrastructure for materials science
Workshop
DATE: September 28 - October 1, 2021
FAIR-DI workshop 2021 on the topic of a FAIR data infrastructure for materials science
NOMAD Tutorial: The Open Databases Integration for Materials Design (Optimade)
Tutorial
DATE: August 10-11, 2021
SPEAKER(S): Gian-Marco Rignanese
NOMAD Tutorial: 	  The Open Databases Integration for Materials Design (Optimade)
2nd NOMAD Project Meeting
DATE: July 19, 2021
LOCATION: online
2nd NOMAD Project Meeting
NOMAD Tutorial: Workflow Management - Part 2
Tutorial
DATE: June 29-30, 2021
SPEAKER(S): Kristian Thygesen, Geoffroy Hautier
NOMAD Tutorial: Workflow Management - Part 2
exciting NEWS 2021
Tutorial
DATE: June 16-23, 2021
exciting NEWS 2021
CECAM Online Workshop: AI for Materials Science: Mining and Learning Interpretable, Explainable, and Generalizable Models from Data
Workshop
DATE: June 9-23, 2021
CECAM Online Workshop: AI for Materials Science: Mining and Learning Interpretable, Explainable, and Generalizable Models from Data
NOMAD Tutorial: Workflow Management - Part 1
Tutorial
DATE: May 11-12, 2021
SPEAKER(S): Kristian Thygesen, Geoffroy Hautier
NOMAD Tutorial: Workflow Management - Part 1
Artificial Intelligence Towards Materials Maps
Conference
DATE: April 19, 2021 TIME: 08:00 EDT / 14:00 CEST
SPEAKER(S): Matthias Scheffler

Talk at the 2021 MRS Spring Meeting | video

Artificial Intelligence Towards Materials Maps
Towards Small-Data-Driven Materials Science
Conference
DATE: April 19, 2021 TIME: 16:00 EDT / 22:00 CEST
SPEAKER(S): Luca Ghiringhelli

Talk at the 2021 MRS Spring Meeting

Towards Small-Data-Driven Materials Science
BiGmax Workshop 2021
Workshop
DATE: April 14-16, 2021

Registration is now open until February 28, 2021.

BiGmax Workshop 2021
From data to knowledge
Seminar
DATE: April 08, 2021 TIME: 15:00 CET
SPEAKER(S): Claudia Draxl

Claudia Draxl will open the 4th installment of the CECAM Mixed-Gen series on the topic of DataDrivenScience with a seminar titled "From data to knowledge".

From data to knowledge
Towards ontologies for databases interoperability
Workshop
DATE: March 2, 2021 TIME: 14:15 - 15:45
SPEAKER(S): Gian-Marco Rignanese

Invited talk at the 3rd EMMC International Workshop I video

Towards ontologies for databases interoperability
Ontologies in Computational Materials Science: The NOMAD experience
Workshop
DATE: March 2, 2021 TIME: 11:45 - 13:15 CET
SPEAKER(S): Luca Ghiringhelli

Invited talk at the 3rd EMMC International Workshop

Ontologies in Computational Materials Science: The NOMAD experience
Reaching for the stars with density functional theory
Seminar
DATE: February 11, 2021 TIME: 11:15 CET
SPEAKER(S): Mandy Bethkenhagen
Reaching for the stars with density functional theory
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 2
Tutorial
DATE: February 9-10, 2021
SPEAKER(S): Luca Ghiringhelli
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 2
Automatic topography of multidimensional probability
Seminar
DATE: February 4, 2021 TIME: 14:15 CET
SPEAKER(S): Alessandro Laio
Automatic topography of multidimensional probability
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 1
Tutorial
DATE: February 2-3, 2021
SPEAKER(S): Luca Ghiringhelli
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 1
Course on Big Data and Artificial Intelligence in Materials Science
Course
DATE: Winter Semester 2020-21
LOCATION: Lecture
Course on Big Data and Artificial Intelligence in Materials Science

2020

NOMAD tutorial on the NOMAD Materials Encyclopedia
Tutorial
DATE: December 1-2, 2020
SPEAKER(S): NOMAD Developer Lauri Himanen
LOCATION: virtual tutorial
NOMAD tutorial on the NOMAD Materials Encyclopedia
2020 Virtual MRS Fall Meeting
Conference
DATE: November 27 - December 4, 2020

Symposium F.MT07: Data Science and Automation to Accelerate Materials Development and Discovery with a talk by Claudia Draxl about FAIR Data Infrastructures Towards New Horizons for Materials Research

2020 Virtual MRS Fall Meeting
6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE2020)
Conference
DATE: November 1-4, 2020

Plenary Talk about FAIR Data Infrastructure and Artificial Intelligence in Materials Science by Matthias Scheffler.

6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE2020)
NOMAD tutorial on the NOMAD Repository and Archive
Tutorial
DATE: October 6-7, 2020 TIME: 9am-7pm
SPEAKER(S): NOMAD Developer Markus Scheidgen
LOCATION: virtual tutorial

Learn how to use the NOMAD tools by participating in the NOMAD virtual tutorial series!

NOMAD tutorial on the NOMAD Repository and Archive
School on DFT and Beyond: Electronic Structure Theory in the Era of Data-Driven Science
CANCELED!
DATE: July 27 - August 7, 2020
LOCATION: ICTP, Sao Paulo, Brazil
Project Kick-off Meeting
DATE: October 2, 2020
LOCATION: online
Project Kick-off Meeting
1st NOMAD Project Meeting
DATE: July 1-2, 2020
LOCATION: online
1st NOMAD Project Meeting

2019

Big Data Summer - A summer school of the BiGmax Network
School
DATE: September 9 - 13, 2019
LOCATION: Platja d’Aro, Spain
Big Data Summer - A summer school of the BiGmax Network
Hands-On DFT And Beyond: High-Throughput Screening And Big-Data Analytics, Towards Exascale Computational Materials Science
Workshop
DATE: August 26 - September 6, 2019
LOCATION: Barcelona, Spain
Hands-On DFT And Beyond: High-Throughput Screening And Big-Data Analytics, Towards Exascale Computational Materials Science
Shared metadata and data formats for Big-Data Driven Materials Science: A NOMAD-FAIRDI workshop
Workshop
DATE: July 8-12, 2019
LOCATION: Berlin, Germany
Shared metadata and data formats for Big-Data Driven Materials Science: A NOMAD-FAIRDI workshop

2018

NOMAD Summer: A hands-on course on tools for novel-materials discovery
DATE: September 24-27, 2018
LOCATION: Lausanne, Switzerland
NOMAD Summer: A hands-on course on tools for novel-materials discovery
BigMax Workshop 2018 on Big-Data-Driven Materials Science
Workshop
DATE: April 10 -13, 2018
LOCATION: Kloster Irsee, Germany
BigMax Workshop 2018 on Big-Data-Driven Materials Science
DPG Symposium - Big data in Materials Science – Managing and exploiting the raw material of the 21st century
Symposium
DATE: March 11-16, 2018
LOCATION: Berlin, Germany
DPG Symposium - Big data in Materials Science – Managing and exploiting the raw material of the 21st century
NOMAD: third industrial meeting
Workshop
DATE: February 5-6, 2018
LOCATION: London, UK
NOMAD: third industrial meeting