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.

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How NOMAD supports novel materials discovery

Learn more about how NOMAD tools and services can be used to develop better materials, perhaps even those that do not yet exist in nature.

 

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

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


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.

 Graphene / boron nitride heterostructure


This movie shows an exploration of excitons in a graphene/BN heterostructure using the HTC Vive NOMAD VR viewer.
The position of the hole is indicated by a green or red cross.

Pyridine @ zinc oxide


This movie shows an exploration of excitons in a pyridine @ zinc oxide material using the HTC Vive NOMAD VR viewer.
The position of the hole is indicated by a green cross.

Conference & Workshop Presentations

Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Humboldt University, Berlin

Matthias Scheffler, NOMAD Coordinator, gave the keynote lecture Materials discovery from electronic structure to open the Hands-on Workshop Density-Functional Theory and Beyond.

You can see the full set of lectures here

 

 

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.