Dear QE users,
with Andrea Ferretti and Chris Wolverton we have written a review for
Nature Materials on electronic-structure methods that is out today:
https://www.nature.com/articles/s41563-021-01013-3
We are also allowed to distribute an open access, view-only version:
https://rdcu.be/clrH2
There are many QE examples and applications, and we hope it could be a
useful reading to gain a broad perspective on materials simulations from
first-principles.
Also in the same issue there is a Perspective by Steve Louie, and other
reviews at larger scales or on machine learning (it's an "Insight" on
Computational Materials Design):
https://www.nature.com/collections/dhcfgffecf
Any comments or corrections (directly to me) also very welcome!
nicola
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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