The NOMAD Laboratory in a Nutshell

Learn more about the NOMAD Laboratory CoE in this introductory video. It explains how scientists and engineers can use NOMAD tools and services to develop better materials.

Use this: Video Link at YOUKU in China

The NOMAD Repository in a Nutshell

This video explains what the NOMAD Repository is and how scientists can use it in their research: to upload, download, and share files from computational materials science.

Use this: Video Link at YOUKU in China 

Advanced Graphics 

Conversion of a Greenhouse Gas into Fuels and Other Useful Chemicals: Activation of CO2

NOMAD, the European Center of Excellence on Novel Materials Discovery, has created three movies:

These movies show how CO2 molecules interact with the (100) surface of CaO, a mineral also called quicklime. You can see how the stable (and linear) molecule is changed into a bent configuration and why it is now eager to perform a chemical reaction. This is a general phenomenon of heterogeneous catalysis.

For more details see our recent “NOMAD Success Story”.

 Seeing Helps Understanding: Electron-Hole Excitations in Semiconductors

NOMAD, the European Center of Excellence on Novel Materials Discovery, has created a:

360 degrees movie: https://youtu.be/XPPDeeP1coM

This movie deals with the visualization of electron-hole pairs which are created by excitation of a material by light. Thereby an electron is removed from the valence band and finds itself in the conduction band. The missing electron is called a hole, the electron-hole pair is called an exciton.

Experimentally one cannot “see” such exciton, but this movie shows, based on parameter-free calculations for a Lithium Fluoride crystal, where the electron is and how it is distributed over the lattice of Li and F atoms. The position of the hole is indicated by a blue cross. Though this material is not relevant for photovoltaics, the same situation occurs in any solar-cell by the incoming sunlight.

More 3D stereoscopic movies on excitons can be found here.

Conference Presentations

Workshops at the Institute for Pure & Applied Mathematics, UCLA

Claudia Draxl (HUB) presents Big-Data in materials science: new tools for getting insight into materials properties and functions at the Workshop on Machine Learning Meets Many-Particle Problems, IPAM, September 26-30, 2016

*Note: when you click the video, it will launch in a new window after briefly showing the agenda. 

Claudia Draxl (HUB) presents From HPC to Big-Data analytics of materials science and back at the Workshop on Big Data Meets Computation, Institute for Pure and Applied Mathematics (IPAM), UCLA, Los Angeles, USA, January 30 – February 3, 2017

*Note: when you click the video, it will launch in a new window after briefly showing the agenda.