Discovery and design of novel materials in silico: current state of the field

This was published on December 15, 2020

MARVEL project leader Oleg Yazyev writes about his views on computations as an instrument for the discovery and design of new materials.

He provides a broad overview of the field and gives a few examples of interesting materials discovered in silico (i.e. on computer) in his group and later verified experimentally.

Written in the context of the NCCR MaNEP newsletter, the article also presents open-science tools developed by MARVEL. 

Read the article here.

Oleg Yazyev
Oleg Yazyev
Project leader
EPFL, Lausanne
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