358 citations · 1.1k across the 12 of their papers we have counts for
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Revisiting the domain model for lithium intercalated graphite
Sridevi Krishnan, Gilles Brenet, Eduardo Machado-Charry +4
In this letter, we study the stability of the domain model for lithium intercalated graphite in stages III and II by means of Density Functional Theory and Kinetic Lattice Monte Ca…
Interface identification of the solid electrolyte interphase on graphite
Elena Zvereva, Damien Caliste, Pascal Pochet
By means of Density Functional Theory calculations we evaluate several lithium carbonate - graphite interface models as a prototype of the Solid Electrolyte Interphase capping laye…
A wavelet-based Projector Augmented-Wave (PAW) method: reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set
Tonatiuh Rangel, Damien Caliste, Luigi Genovese +1
We present a Projector Augmented-Wave~(PAW) method based on a wavelet basis set. We implemented our wavelet-PAW method as a PAW library in the ABINIT package [http://www.abinit.org…