The NOMAD Laboratory
A European Centre of Excellence








The Novel Materials Discovery (NOMAD) Laboratory maintains the largest Repository, for input and output files of all important computational materials science codes. From its open-access data, it builds several Big-Data Services helping to advance materials science and engineering. 

To learn more, click on the buttons above. You can also watch our 3-minute summary on the NOMAD Laboratory CoE at YouTube (or at YOUKU in China).

NOMAD Scope and Overview

Data is a crucial raw material of the 21st century.

Surprisingly, extreme-scale aspects of Big-Data are very much under-explored in materials science and engineering, one reason being that ‘towards exascale’ computing initiatives typically focus on standard hardware and software challenges. Clearly, much of the value of high-throughput calculations is wasted without deeper Big-Data driven analysis of the results.

This is the extreme-scale computing challenge addressed by the Novel Materials Discovery (NOMAD) Laboratory . ... more


Alessandro De Vita

Alessandro De Vita tragically passed away on October 2, 2018
With him, we lost a co-founder and director of the Thomas Young Centre, the London centre for theory and simulations of materials, a PI and one of the driving forces behind NOMAD. Sandro was a forerunner of artificial intelligence applied to materials science. His "learn on the fly" approach practically opened a new field. We will miss his profound scientific insight, sharp judgement and caustic wit uniquely mixed with Mediterranean warmth and cheerfulness.


Stefan Heinzel

Stefan Heinzel passed away on August 28, 2018
We lost the competent leader of the Max Planck Computing and Data Facility, an influential and reliable NOMAD and BiGmax PI. Stefan was a role model of a leader, and it was most impressive how he and his team were running the MPCDF. He was such a wonderful and helpful person and so important for the Max Planck Society. We will miss his friendly and straight personality, his skills, his competent judgement, his reliability, and his sense of obligation.