User:Arturt

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Artur Tamm

Tegevused

VASPi kompileerimine erinevate "flag"idega

Li2MnSiO4Au modelleerimine ja tema võimalikud omadused

Li2FeSiO4 modelleerimine

LiFeSiO4 modelleerimine

VASP'i statistika

Kontakt

e-mail: arturt@ut.ee
tel: 55579478

Materjale

Perioodiliste kristalliarvutuste teooria:

Projector augmented-wave method, http://dx.doi.org/10.1103/PhysRevB.50.17953

Sisuline osa:

Li2MnSiO4 artikkel, http://dx.doi.org/10.1021/cm801036k

Polaron juhtivuse arvutamine LiFePO4-s, http://dx.doi.org/10.1103/PhysRevB.73.104301

Li diffusiooni arvutamine LiMO2-s NEB meetodil, http://dx.doi.org/10.1103/PhysRevB.74.094105

Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5

Elastsusomaduste arvutamine DFT meetoditega, teooria, http://dx.doi.org/10.1063/1.368733

Elastsusomaduste arvutamine DFT meetoditega LiFePO4 jaoks, http://dx.doi.org/10.1103/PhysRevB.73.174112

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