Dr. Vidvuds Ozolins    Professor Vidvuds Ozolins
Tel. (310) 267-5538
FAX (310) 206-7353

Professor; B.Sc. (1992) in Physics and Mathematics, University of Latvia; M.Sc. (1993)
and Ph.D. (1998) in Theoretical Physics, Royal Institute of Technology, Sweden;
Principle Member of Technical Staff, Sandia National Laboratories; Postdoctoral
Fellow, National Renewable Energy Laboratory.

Research Interests

Research in our group deals with the study and
design of advanced materials using computational modeling and simulation. Within
a parameter-free first-principles approach, we employ quantum mechanics and
statistical mechanics to study electronic structures, interatomic bonding and
microscopic kinetic processes in modern high-performance materials. Current
research directions include (i) theory of bulk and surface alloys, (ii) studies
of nanoscale self-assembly and ordered pattern formation on metal and
semiconductor surfaces, (iii) structure and growth kinetics of epitaxial
nanostructures, (iv) solid-state hydrides for reversible hydrogen storage, and
(iv) development of new computational algorithms for predicting crystal
structures and physical properties of complex materials. Our research is funded

Area of Thesis Guidance

Self-assembly, directed self-assembly, pattern formation, metal and
semiconductor heteroepitaxy, nanostructured materials, first-principles
calculations, phase diagrams and phase stability, ordering in alloys, dynamical
properties of solids, metal hydrides, complex hydrides, hydrogen storage,

Recent Publications


  1. Xu, D., Sriram, V., Ozolins, V., Yang,
    J.-M., Tu, K.N., Stafford, G.R., Beauchamp, C., Zienert, I., Geisler, H.,
    Hofmann, P., and Zschech, E., “Nanotwin Formation and its Physical Properties
    and Effect on Reliability of Copper Interconnects”, Microelectronic Engineering,
    85:2155 – 2158 (2008)
  2. Yang, B., Asta, M., Muppidi, T., and
    Ozolins, V., “Strong Effect of Substrate Symmetry and Pre-Patterning on
    Self-Assembly of Compositional Patterns”, Surface Science, 602:L123 – L126
  3. Barabash, S.V., Ozolins, V., and Wolverton,
    C., “First-Principles Theory of Competing Order Types, Phase Separation, and
    Phonon Scattering in Thermoelectric AgPbmSbTem+2 Alloys”, Physical Review
    Letters, 101 (2008)
  4. Yang, B., Muppidi, T., Ozolins, V. and Asta,
    M., “First Principles Theory of Nanoscale Pattern Formation in Ultrathin Alloy
    Fimls: A Comparative Study of Fe-Ag on Ru(0001) and Mo (110) Substrates,”,
    Physical Review B, 77(205408) (2008)
  5. Gunaydin, H., Barabash, S.V., Houk, K.N.,
    and Ozolins, V., “First-Principles Theory of Hydrogen Diffusion in Aluminum,”,
    Physical Review Letters, 101(075901) (2008)
  6. Lei, B., Yao, Y., Kumar, A., Yang, Y., and
    Ozolins, V., “Novel Approach to Quantifying the Relation Between the Morphology
    and Performance of Polymer Solar Cells: A Monte Carlo Study,”, Journal of
    Applied Physics, 104(024504) (2008)
  7. Majzoub, E.H. and Ozolins, V., “Prototype
    Electrostatic Ground State Approach to Predicting Crystal Structures of Ionic
    Compounds: Application to hydrogen storage materials”, Physical Review B,
    77(104115) (2008)
  8. Ozolins, V., Majzoub, E.H., and Wolverton,
    C., “First-Principles Prediction of a Ground State Crystal Structure of
    Magnesium Borohydride,”, Physical Review Letters, 100(135501) (2008)
  9. Gunaydin, H., Houk, K.N., and Ozolins, V.,
    “Vacancy Mediated Dehydrogenation of Sodium Alanate,”, Proceedings of the
    National Academy of Sciences USA (PNAS), 105:3673 – 3677 (2008)
  10. Wolverton, C., Siegel, D.J., Akbarzadeh,
    A.R., and Ozolins, V., “Discovery of Novel Hydrogen Storage Materials: An Atomic
    Scale Computational Approach”, Journal of Physics: Condensed Matter, 20:064228
  11. Yang, J., Sudik, A., Siegel, D., Halliday,
    D., Drews, A., Carter III, R.O., Wolverton, C., Lewis, G.J., Sachtler, J.W.A.,
    Low, J.J., Faheem, S.A., Lesch, D.A. and Ozolins, V., “A Self-Catalyzing
    Hydrogen Storage Material,”, Angewandte Chemie Int.Ed., 47:882 – 887 (2008)
  12. Xu, D., Kwan, W.-L., Chen, K., Zhang, X.,
    Ozolins, V., and Tu, K.-N., “Nanotwin Formation in Copper Thin Films by
    Stress/Strain Relaxation in Pulse, electrodeposition”, Applied Physics Letters,
    91(254105-1-254105-3):254105 (2007)
  13. Lewis, G.J., Sachtler, J.W.A., Low, J.J.,
    Lesch, D.A., Faheem, S.A., Dosek, P.M., Knight, L.M., Jensen, C.M., Yang, J.,
    Sudik, A., Siegel, D.J., Halliday, D., Drews, A., Carter, R., Wolverton, C.,
    Ozolins, V. and Zhang, S., “High Throughput Screening of the Ternary LiNH2 –
    MgH2 – LiBH4 Phase Diagram,”, Journal of Alloys and Compounds, (446-447):355 –
    359 (2007)
  14. Akbarzadeh, A., Ozolins, V., and Wolverton,
    C., “First-Principles Determination of Multicomponent Hydride Phase Aiagrams:
    Application to the Li-Mg-N-H System,”, Advanced Materials, (19):3233 – 3239
  15. Yang, J., Sudik, A., Siegel, D., Halliday,
    D., Drews, A., Carter III, R.O., Wolverton, C., Lewis, G.J., Sachtler, J.W.A.,
    Low, J.J., Faheem, S.A., Lesch, D.A. and Ozolins, V., “Hydrogen Storage
    Properties of 2LiNH2 + LiBH4 + MgH2,”, Journal of Alloys and Compounds,
    (446-447):345 – 349 (2007)
  16. Siegel, D., Wolverton, C. and Ozolins, V.,
    “Thermodynamic Guidelines for the Prediction of Hydrogen Storage Reactions and
    their Application to Destabilized Hydride Mixtures,”, Physical Review B,
    76(1-34102-6) (2007)
  17. Siegel, D.J., Wolverton, C., and Ozolins,
    V., “Reaction energetics and crystal structure of Li4BN3H10 from
    first-principles”, Physical Review B, 75(014101) (01/02/2007)
  18. Wolverton, C. and Ozolins, V., “Hydrogen
    storage in calcium alanate: First-principles thermodynamics and crystal
    sturctures”, Physical Review B, 75(064101) (2007)


  • Ozolins, V. “Advanced Materials for Hydrogen Storage : Modeling and
    Simulations” (Aug 2009)

Professional Activities

  • Principle Member of Technical Staff, Sandia National Laboratories

Courses Taught

ENGR M101/ MAT SCI M105  Principles of Nanoscience and Nanotechnology
MAT SCI 104  Science of Engineering Materials
MAT SCI 141L  Computer Methods and Instrumentation in Materials Science
MAT SCI 272  Theory of Nanomaterials


Research Group/Lab: Computational Materials Science Laboratory (in development)

Office Location

  • 3121-E Engineering V

Mailing Address

  • UCLA, HSSEAS School of Engineering & Applied Sciences
    Department of Materials Science and Engineering
    410 Westwood Plaza
    3111 Engineering V
    Los Angeles, CA 90095-1595