Platja d’Aro, Spain, September 9 – 13, 2019

Webpage:  https://th.fhi-berlin.mpg.de/meetings//BiGmax-Summer-2019/

Organizers:

Gerhard Dehm
Max-Planck-Institut für Eisenforschung, Düsseldorf, Germany
Claudia Draxl
Humboldt-Universität zu Berlin, Berlin, Germany
Matthias Scheffler
Fritz Haber Institute of the Max Planck Society, Berlin, Germany
Jilles Vreeken
CISPA – Helmholtz Center for Information Security, Germany

Scope:

Materials science is entering an era where the growth of data from experiments and simulations is expanding beyond a level that is addressable by established scientific methods. The so-called “4 V challenge” – concerning Volume (the amount of data), Variety (the heterogeneity of form and meaning of data), Velocity (the rate at which data may change or new data arrive), and Veracity (uncertainty of quality) is clearly becoming eminent. Issues are, for example, an early discrimination between valuable and irrelevant experimental data, understanding errors in both experiment and theory, and assigning error bars and trust levels to density-functional theory high-throughput screening results, just to name a few. Most importantly, however, is that Big Data of materials science provide a significant chance for new insight and knowledge gain when fully exploiting its information by artificial intelligence concepts and methods. All the above aspects – from data processing to exploiting the potentials of data-driven materials science – require new and dedicated approaches.

Continue reading Big Data Summer: A summer school of the BiGmax Network →

Workshop Ab initio Modelling of Advanced Materials (AMM 2019)
10-13 September 2019, Onegin hotel, Ekaterinburg, Russia

From 10th to 13rd September 2019 the second workshop AMM2019 devoted to the recent progress in the development and application of ab-initio based methods of calculation and thermodynamic/kinetic modeling for microstructure and finite-temperature properties of a wide range of materials was held at conference hall of Onegin hotel in Ekaterinburg, Russia. This workshop welcomed 73 participants from 14 countries (including organizers), and 3 staff members. During the workshop, 25 oral talks and 14 key-note lectures were presented. The event was sponsored Psi-k organization, and the Institute of Metal Physics Ural division RAS (Ekaterinburg, Russia).

The purpose of this workshop was to brings together prominent scientists from the area of theoretical modelling to assess the state of the art in applications of the electronic structure theory for the knowledge-based design of advanced materials. Because the AMM2019 workshop was scheduled as a satellite to the international conference on magnetism EASTMAG-2019, the cooperation-promoting atmosphere of the both events were provided. The special topic of AMM2019 was related to problems of magnetism and magnetic materials. The main focus of the AMM2019 was to provide a fruitful framework for development and dissemination of novel ideas and concepts in order to resolve the present challenges in the field and development of new strategy for design of the materials by using combined multi-disciplinary efforts.

Read the full report.

CECAM-HQ-EPFL, Lausanne, Switzerland
July 22, 2019 – July 24, 2019

CPMD meetings have a tradition stretching back two decades in bringing together a diverse mix of computational scientists working on different aspects of molecular dynamics simulations, combining
aspects of electronic structure theory and statistical sampling methods, as well as state-of-the-art applications ranging from materials science to biophysics.

This edition of the meeting – which marked the 20th anniversary of the first CPMD meeting at Ringberg Castle (Munich) – focused on identifying the most pressing challenges in the field, and on discussing the most promising directions to face such challenges. Given the growing relevance of machine-learning methods in the field of atomic-scale modelling, the topic was given a particular
focus, informed the choice of the speakers and the organization of the program.

Read the full workshop report.