First-Principles Determination of Multicomponent Hydride Phase Diagrams: Application to the Li-Mg-N-H System
R. Akbarzadeh, A., Ozoliņš, V., Wolverton, C.
Published in Advanced materials (Weinheim) (19.10.2007)
Published in Advanced materials (Weinheim) (19.10.2007)
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First-principles theory of hydrogen diffusion in aluminum
Gunaydin, Hakan, Barabash, Sergey V, Houk, K N, Ozoliņs, V
Published in Physical review letters (15.08.2008)
Published in Physical review letters (15.08.2008)
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Incorporating first-principles energetics in computational thermodynamics approaches
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Conference Proceeding
Discovery of novel hydrogen storage materials: an atomic scale computational approach
Wolverton, C, Siegel, Donald J, Akbarzadeh, A R, Ozoliņš, V
Published in Journal of physics. Condensed matter (13.02.2008)
Published in Journal of physics. Condensed matter (13.02.2008)
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LiSc(BH4)4 as a Hydrogen Storage Material: Multinuclear High-Resolution Solid-State NMR and First-Principles Density Functional Theory Studies
Kim, Chul, Hwang, Son-Jong, Bowman, Robert C, Reiter, Joseph W, Zan, Jason A, Kulleck, James G, Kabbour, Houria, Majzoub, E. H, Ozolins, V
Published in Journal of physical chemistry. C (04.06.2009)
Published in Journal of physical chemistry. C (04.06.2009)
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Mg segregation at Al/Al3Sc heterophase interfaces on an atomic scale: experiments and computations
Marquis, E A, Seidman, D N, Asta, M, Woodward, C, Ozoliņs, V
Published in Physical review letters (18.07.2003)
Published in Physical review letters (18.07.2003)
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