Tim Mueller

Assistant Professor, Materials Science and Engineering

Tim Mueller at Materials Science and Engineering

office (410) 516-5779

fax (410) 516-5293

Research Interests

  • Computational materials design
  • Materials for energy storage and conversion
  • High-throughput computing and materials informatics
  • Modeling nanoscale materials

CV/Bio

Ph.D. in Materials Science and Engineering, Massachusetts Institute of Technology, 2007.
A.B. in Applied Mathematics, Harvard University, 1998.

12Publications by Tim Mueller

View on ResearcherID

  • A high-throughput infrastructure for density functional theory calculations

    Jain, Anubhav; Hautier, Geoffroy; Moore, Charles J.; et al. Computational Materials Science, 50 2295 (2011)

  • Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theor

    Hautier, Geoffroy; Fischer, Christopher C.; Jain, Anubhav; et al. Chemistry of Materials, 22 3762 (2010)

  • Exact expressions for structure selection in cluster expansions

    Mueller, Tim; Ceder, Gerbrand Physical Review B, 82 (2010)

  • Effect of Particle Size on Hydrogen Release from Sodium Alanate Nanoparticles

    Mueller, Tim; Ceder, Gerbrand Acs Nano, 4 5647 (2010)

  • Cluster expansion and optimization of thermal conductivity in SiGe nanowires

    Chan, M. K. Y.; Reed, J.; Donadio, D.; et al. Physical Review B, 81 (2010)

  • Ab initio study of the low-temperature phases of lithium imide

    Mueller, Tim; Ceder, Gerbrand Physical Review B, 82 (2010)

  • Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput

    Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; et al. Chemistry of Materials, 23 2854 (2010)

  • Bayesian approach to cluster expansions

    Mueller, Tim; Ceder, Gerbrand Physical Review B, 80 (2009)

  • Ab initio prediction of ordered ground-state structures in ZrO(2)-Y(2)O(3)

    Predith, A.; Ceder, G.; Wolverton, C.; et al. Physical Review B, 77 (2008)

  • Effective interactions between the N-H bond orientations in lithium imide and a proposed ground-stat

    Mueller, Tim; Ceder, Gerbrand Physical Review B, 74 (2006)

  • A density functional theory study of hydrogen adsorption in MOF-5

    Mueller, T; Ceder, G Journal of Physical Chemistry B, 109 17974 (2005)

  • Reserving discrepancies between LEED and STM through ab initio calculations: Surface and bonding of

    Chen, M; Clark, PG; Mueller, T; et al. Physical Review B, 60 11783 (1999)

Group Members

  • Positions available for undergraduate research in computational materials science.
  • Postdoctoral associate position in computational materials science available.
  • Research positions available for graduate students. To apply to the graduate program in materials science and engineering, please see http://materials.jhu.edu/index.php/admissions/apply/.