Lawrence Livermore National Laboratory



Keith Ray

Postdoctoral Appointment
Materials Science Division


 +1 925-423-8971


DegreeDiscipline/InstitutionYear
Ph.D. Physics
University of California at Berkeley
M.S. Physics
University of California at Berkeley
B.S. Mathematics and Physics
University of California at Berkeley

Research Interests

I am interested in ab-initio electronic structure methods, primarily density functional theory, van der Waals interactions, correlated electrons, gas adsorption materials, energy storage, solid electrolytes, quantum information, radiation detection, topological condensed matter systems

Honors and Awards

  • Materials Computation Center (MCC) at the University of Illinois Urbana-Champaign travel grant recipient for attending the CECAM workshop: Towards First-Principles Description of van der Waals Interactions in Complex Materials, Lausanne, Switzerland, October 15-19, (2012)
  • Graduated UC Berkeley with high distinction in general scholarship (2006)
    
Center for Integrated Nanomechanical Systems (COINS) undergraduate summer research
  • fellowship recipient (2006)
  • Pomerantz scholarship for physics recipient (2005)

Selected (Recent) Publications

Gas Membrane Selectivity Enabled by Zeolitic Imidazolate Framework Electrostatics
K. G. Ray, D. L. Olmsted, Jessica M. R. Burton, Y. Houndonougbo, B. B. Laird, M. Asta
Chemistry of Materials 26, 3976, 2014

Origins of CH4/CO2 Adsorption Selectivity in Zeolitic Imidazolate Frameworks: A van der Waals Density Functional Study
K. G. Ray, D. L. Olmsted, Y. Houndonougbo, B. B. Laird, M. Asta
Journal of Physical Chemistry C 117, 14642, 2013

A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks
Y. Houndonougbo, C. Signer, N. He, W. Morris, H. Furukawa, K. G. Ray, D. L. Olmsted, M. Asta, B. B. Laird, and O. M. Yaghi
Journal of Physical Chemistry C 117, 10326, 2013

A combined experimental-computational study on the effect of topology on carbon dioxide adsorption in zeolitic imidazolate frameworks
W. Morris, N. He, K. G. Ray, P. Klonowski, H. Furukawa, I. N. Daniels, Y. A. Houndonougbo, M. Asta, O. M. Yaghi, B. B. Laird
Journal of Physical Chemistry C 116, 24084, 2012

van der Waals density functional study of CO2 binding in zeolitic imidazolate frameworks
K. G. Ray, D. Olmsted, N. He, Y. Houndonougbo, B. B. Laird, M. Asta
Physical Review B 85, 085410, 2012

Structural and vibrational properties of α-MoO3 from van der Waals corrected density functional theory calculations
H. Ding, K. G. Ray, V. Ozolins, M. Asta
Physical Review B 85, 012104, 2012

Probing nanoscale solids at thermal extremes
G. E. Begtrup, K. G. Ray, B. M. Kessler, T. D. Yuzvinsky, H. Garcia, A. Zettl
Physical Review Letters 99, 155901, 2007


Last update: