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Journal Article (2)
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1.Journal ArticleNonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B 96 (10), 104306 (2017)
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2.Journal ArticleEfficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics. Physical Review B 93 (9), 094305 (2016)