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Automating first-principles phase diagram calculations
Author(s):
A. Walle
,
G. Ceder
Publication date
Created:
August 2002
Publication date
(Print):
August 2002
Journal:
Journal of Phase Equilibria
Publisher:
Springer Nature
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The FAIR data principles
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19
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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
G Kresse
,
J. Furthmüller
(1996)
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Density-functional theory applied to phase transformations in transition-metal alloys
J. Connolly
,
A. Williams
(1983)
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First-principles investigation of phase stability inLixCoO2
G Kresse
,
G Ceder
,
M. Aydinol
…
(1998)
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Author and article information
Journal
Title:
Journal of Phase Equilibria
Abbreviated Title:
JPE
Publisher:
Springer Nature
ISSN (Print):
1054-9714
ISSN (Electronic):
1863-7345
Publication date Created:
August 2002
Publication date (Print):
August 2002
Volume
: 23
Issue
: 4
Pages
: 348-359
Article
DOI:
10.1361/105497102770331596
SO-VID:
e1018c06-9788-4a18-bef9-8febc6b23539
Copyright ©
© 2002
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