Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures
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Title
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 24, Pages 241714
Publisher
AIP Publishing
Online
2018-03-17
DOI
10.1063/1.5016317
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- (2015) Matthias Rupp INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Gaussian approximation potentials: A brief tutorial introduction
- (2015) Albert P. Bartók et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Reactive Force Field Study of Li/C Systems for Electrical Energy Storage
- (2015) Muralikrishna Raju et al. Journal of Chemical Theory and Computation
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- (2015) Gabriele C. Sosso et al. Journal of Physical Chemistry C
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- (2013) Hui Yang et al. CHEMICAL PHYSICS LETTERS
- Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
- (2013) M. Saiful Islam et al. CHEMICAL SOCIETY REVIEWS
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- (2012) Lars Pastewka et al. MRS BULLETIN
- Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
- (2012) Eunseok Lee et al. NANO LETTERS
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