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.

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.

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

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.