Tuning elastic and inelastic electron transport across single molecule circuits

Datum

13.07.2017

Zeit

13:00 - 14:00

Sprecher

Dr. Pasquale Pavone

Zugehörigkeit

Humboldt-Universität zu Berlin, Physics Department and IRIS Adlershof, Germany

Serie

TUD nanoSeminar

Sprache

en

Hauptthema

Materialien

Andere Themen

Materialien

Host

G. Cuniberti

Beschreibung

The NOMAD (Novel Materials Discovery) Laboratory Center of Excellence (CoE), https://NOMAD-CoE.eu, is a community-driven activity with the mission to serve the whole field of materials science and engineering. It tackles the issues of Big Data in materials science, starting from the NoMaD Repository, which by now contains results from more than 18 million DFT total-energy calculations. This corresponds to several billion CPU-core hours spent on high-performance computers worldwide. With these and more and more incoming data, we build a Materials Encyclopedia, to provide a user-friendly access to all these results, also making use of Advanced Graphics. Novel Big-Data Analytics tools are developed for finding trends, identifying outliers, and predicting new materials with tailored properties. Thus, this talk describes the basic concepts and goals of the NOMAD CoE in order to stimulate a discussion and suggestions on how to proceed further.

Letztmalig verändert: 13.07.2017, 09:37:52