Lawrence Livermore National Laboratory

Fei Zhou

Physics Division

 +1 925-422-3679

Ph.D. Physics
Massachusetts Institute of Technology
B.S. Physics
University of Science and Technology of China

Research Interests

Computational materials physics and materials informatics, for applications in

  • Electrochemical energy storage, including super-capacitor and lithium-ion battery
  • Nuclear fuel materials, e.g. actinide oxides
  • Rare earth materials for solid state lighting, scintillators and permanent magnet,
  • Strongly correlated materials, magnetism and the bio-nano interface
  • Computational methods: Compressive sensing; non-local exchange-correlation; LDA+U and hybrid functional; cluster expansion; structure prediction; molecular dynamics; Monte-Carlo

Personal Background

Fei Zhou joined the Lawrence Livermore National Laboratory as a staff physicist in July, 2013. He received his BS in physics from University of Science and Technology of China (USTC) in 2001 and his Ph.D. in physics from Massachusetts Institute of Technology (MIT) in 2006. His graduate thesis with Prof. Gerbrand Ceder, entitled "Models for transition metal oxides and for protein design", studied with computational methods the electron correlation effects in transition metal oxides (TMO), as well as the energetics of proteins and the nanotube-protein interface. Dr. Zhou continued as a postdoc at MIT in 2006, where he studied thermodynamics of transition metal oxides such as LiFePO4 and Fe3O4, and used first-principles data-mining and high-throughput approaches for battery design. In 2008 he moved to work with Prof. Vidvuds Ozolins at University of California, Los Angeles (UCLA) as a postdoc (2008-2009) and then assistant research engineer (2009-2013). At UCLA he carried out computational characterization of transition metal oxides (RuO2, Nb2O5, WO3) for super-capacitive energy storage, developed an improved LDA+U method for magnetism and crystal field of rare earth compounds and actinide nuclear fuels, and studied compressive sensing based models for materials physics.

Selected Publications

  1. L. Nelson, V. Ozolins, C. Shane Reese, F. Zhou and G. Hart, Cluster expansion made easy with Bayesian compressive sensing, Physical Review B 88, 155105 (2013)
  2. L. Nelson, G. Hart, F. Zhou and V. Ozolins, Compressive sensing as a paradigm for building physics models, Physical Review B 87, 035125 (2013)
  3. V. Ozolins, F. Zhou, Y. Liu, and M. Asta, Ruthenia-based electrochemical supercapacitors: In-sights from first-principles calculations, Accounts of Chemical Research 46, 1084 (2013)
  4. X. Lu, D.T. Morelli, Y. Xia, F. Zhou, V. Ozolins, H. Chi, and C. Uher, High Performance Ther- moelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites, Advanced Energy Materials 3, 342 (2013)
  5. F. Zhou and V. Ozolins, Self-consistent density functional calculations of the crystal field levels in lanthanide and actinide dioxides, Physical Review B 85, 075124 (2012)
  6. R. Malik, F. Zhou and G. Ceder, Kinetics of non-equilibrium Li incorporation in LiFePO4, Nature Materials 10, 587 (2011)
  7. F. Zhou and V. Ozolins, Crystal field and magnetic structure of UO2, Physical Review B 83, 085106 (2011)
  8. F. Zhou and G .Ceder, First-principles determination of charge and orbital interactions in Fe3O4", Physical Review B 81, 205113 (2010)
  9. F. Zhou and V. Ozolins, Obtaining the correct orbital ground states of PrO2 using a nonspherical self-interaction corrected LDA+U method, Physical Review B 80, 125127 (2009)
  10. F. Zhou, T. Maxisch, and G. Ceder, Configurational electronic entropy and the phase diagram of mixed-valence oxides: The case of LixFePO4, Physical Review Letters 97, 155704 (2006)
  11. F. Zhou, G. Grigoryan, S.R. Lustig, A.E. Keating, G. Ceder, and D. Morgan, Coarse-graining protein energetics in sequence variables, Physical Review Letters 95, 148103 (2005)

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