Roadmap on methods and software for electronic structure based simulations in chemistry and materials

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

Year of publication

2024

Authors

Blum, Volker; Asahi, Ryoji; Autschbach, Jochen; Bannwarth, Christoph; Bihlmayer, Gustav; Bluegel, Stefan; Burns, Lori A.; Crawford, T. Daniel; Dawson, William; de Jong, Wibe Albert; Draxl, Claudia; Filippi, Claudia; Genovese, Luigi; Giannozzi, Paolo; Govind, Niranjan; Hammes-Schiffer, Sharon; Hammond, Jeff R.; Hourahine, Benjamin; Jain, Anubhav; Kanai, Yosuke
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Organizations and authors

Publication type

Publication format

Article

Parent publication type

Journal

Article type

Original article

Audience

Scientific

Peer-reviewed

Peer-Reviewed

MINEDU's publication type classification code

A1 Journal article (refereed), original research

Publication channel information

Parent publication name

Electronic structure

Volume

6

Issue

4

Article number

042501

​Publication forum

90859

​Publication forum level

1

Open access

Open access in the publisher’s service

Yes

Open access of publication channel

Partially open publication channel

License of the publisher’s version

CC BY

Self-archived

Yes

License of the self-archived publication

CC BY

Other information

Fields of science

Chemical sciences

Publication country

United Kingdom

Internationality of the publisher

International

Language

English

International co-publication

Yes

Co-publication with a company

No

DOI

10.1088/2516-1075/ad48ec

The publication is included in the Ministry of Education and Culture’s Publication data collection

Yes