James R Chelikowsky

Department of Chemical Engineering, Department of Physics

W. A. "Tex" Moncrief, Jr. Chair in Computational Materials

Computational materials science; solid state physics.

Phone: 512-232-9083

Office Location
POB 4.324

Postal Address
The University of Texas at Austin
Department of Chemical Engineering, Cockrell School of Engineering
1 University Station C0400
Austin, TX 78712

Ph.D., University of California at Berkeley (1975)

Jim Chelikowsky obtained a BS degree, Summa Cum Laude, in physics from Kansas State University in 1970 and a PhD degree in physics from the University of California at Berkeley in 1975, where he held a National Science Foundation fellowship. He performed postdoctoral work at Bell Laboratories from 1976–1978 and was an assistant professor at the University of Oregon from 1978–1980. From 1980–1987 he worked at Exxon Research and Engineering Corporate Research Science Laboratories. In this capacity, he served as group head in theoretical physics and chemistry. He went to the University of Minnesota in 1987 as a professor within the Department of Chemical Engineering and Materials Science. He was named an Institute of Technology Distinguished Professor at Minnesota in 2001. He assumed his current position as the W.A. “Tex” Moncrief, Jr. Chair of Computational Materials and professor in the Departments of Physics, Chemical Engineering, and Chemistry and Biochemistry in January 2005.

His research has made significant contributions within the field of computational materials science. His work has focused on the optical and dielectric properties of semiconductors, surface and interfacial phenomena in solids, point and extended defects in electronic materials, pressure induced amorphization in silicates and disordered systems, clusters and nano-regime systems, diffusion and microstructure of liquids, and the development of high performance algorithms to predict to predict the properties of materials. He has published over 375 papers, including five monographs.

N.  Marom, R. A. DiStasio Jr., V.  Atalla, S. Levchenko, A.M. Reilly, J.R. Chelikowsky, L. Leiserowitz, and A. Tkatchenko: “Many-body dispersion interactions in molecular crystal polymorphism,''   Ang. Chemie    52, 6629 (2013).

L.V. Besteiro, L. Tortajada, J. Souto, L.J. Gallego, J.R. Chelikowsky and M.M.G. Alemany: “Doping Efficiency in  n-type InP nanowires,''   Phys. Rev. B  88, 115310 (2013).

 M. Kim and J.R. Chelikowsky:  “Simulated non-contact atomic force microscopy for GaAs surfaces based on real-space pseudopotentials,''  Appl. Surf. Sci.   303, 163 (2014).

M. Jain, J. Deslippe, G. Samsonidze, M.L. Cohen, J.R. Chelikowsky and S.G. Louie: “Improved quasiparticle wavefunctions and mean field for G0W0 calculations: Diagonalization of the static-COHSEX operator,''   Phys. Rev. B    90, 115148 (2014).  

T.-L. Chan, A. Lee and J.R. Chelikowsky: “An effective capacitance model for computing the electronic properties of charged defects in crystals,''  Comp. Phys. Comm. 185, 1564 (2014).

A.J. Lee, T.-L. Chan and J.R. Chelikowsky:  “Dopant binding energies in P-doped Ge[110] nanowires using real-space pseudopotentials,''  Phys. Rev. B   89, 075419 (2014).
 Y. Zhou, J.R. Chelikowsky and Y. Saad:  “Chebyshev-filtered subspace iteration method free of sparse diagonalization for solutions of the Kohn-Sham equation,''  J. of Comp. Phys.  274, 770 (2014).

K.H. Khoo and J.R. Chelikowsky: First-Principles Study of Vibrational Modes and Raman Spectra in P-Doped Si Nanocrystals,''  Phys. Rev. B  89, 195309 (2014).

  • Anessur Rahman Prize for Computational Physics, APS 2013
  • Fellow of the American Physical Society 1986
  • Fellow of the American Association for the Advancement of Science 2007
  • Fellow of the Materials Research Society 2011
  • Miller Institute Professorship, University of California 1999
  • John Simon Guggenheim Fellow 1995-96
  • David Turnbull Award, Materials Research Society 2001
  • David Adler Award, American Physical Society 2006
  • Outstanding Referee for the American Physical Society (lifetime award) 2008