Lev Gelb

Associate Professor - Materials Science & Engineering
Tags: Materials and Polymers Theoretical, Physical or Analytical Chemistry Materials Science and Engineering

Professional Preparation

PhD - Theoretical Chemistry
Cambridge University - 1995
BA - Chemistry
Columbia University - 1992

Research Areas

Research Interests
  • First-principles molecular simulations
  • New methods for free energy and phase equilibria calculations
  • Gas adsorption, capillary phenomena and confined phase equilibria
  • Energy storage and transduction
  • Nanostructured and amorphous porous materials
  • High-performance computing
  • Potential (force-field) development
  • Nucleation
  • Multiscale modeling
  • Statistical data analysis
  • Liquid structure theory


"Effects of Atomic-Force-Microscope Tip Characteristics on Measurement of Solvation-Force Oscillations," L. D. Gelb and R. M. Lynden-Bell, Phys. Rev. B, 49 #3 (1994) pp. 2058-2066. 1995 - Publication
"Force Oscillations and Liquid Structure in Simulations of an Atomic Force Microscope Tip in a Liquid," L. D. Gelb and R. M. Lynden-Bell, Chem. Phys. Letts., 211, #4,5 (1993) pp. 328-332. 1994 - Publication


Associate Professor
University of Texas at Dallas [2010–Present]
Associate Professor
Washington University in St. Louis [2006–2010]
Assistant Professor
Washington University in St. Louis [2002–2006]
Assistant Professor
Florida State University [1999–2002]

Additional Information

  • NSF CAREER Award Multi-scale modeling of sol-gel materials, 2002-2006.
  • CISE Post-Doctoral Fellowship (at the Cornell Theory Center) NSF, 1996-1998.
  • NSF Graduate Fellowship National Science Foundation, 1994-1995.
  • Honorary Cambridge Commonwealth Trust Scholar, University of Cambridge, 1994-1995.
  • British Marshall Scholarship Marshall Aid Commemoration Commission, 1992-1994.
  • 'Best Poster Prize' Molecular Liquids Conference, 1993.
  • Phi Beta Kappa (Junior) Columbia University, 1991.
  • Perkin-Elmer Corporate Scholarship Perkin Elmer, Inc., 1991.




Phase Change Materials for Data Storage
25000 - WU Center for Materials Innovation [2008–2010]
First-principles Monte Carlo simulations of fluid phase equilibria at extreme con
381806 - National Science Foundation [2007–2010]
DURIP: Acquisition of a computer system for first-principles simulations of molecular solids
157655 - Army Research Office [2007–2007]
Collaborative Research: Cyberinfrastructure for Phase-Space Mapping - Free Energies, Phase Equilibria and Transition Paths
615000 - National Science Foundation [2006–2010]
Three-dimensional reconstruction of mesoporous materials from gas adsorption and structure factor data
80000 - ACS Petroleum Research Fund [2006–2009]