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


Phase Separation in Confined Systems, (Review), L. D. Gelb, K. E. Gubbins, R. Radhakrishnan and M. Sliwinska-Bartkowiak, Rep. Prog. Phys., 62 #12 (1999) pp. 1573-1659. 1999 - Publication
Characterization of Porous Glasses by Adsorption: Models, Simulations and Data Inversion, L. D. Gelb and K. E. Gubbins, in Fundamentals of Adsorption 6, ed. F. Meunier, pp. 551-556, Elsevier, Paris (1998). 1998 - Publication
"Characterization of Porous Glasses: Simulation Models, Adsorption Isotherms, and the Brunauer-Emmett-Teller Analysis Method," L. D. Gelb and K. E. Gubbins, Langmuir , 14 #8 (1998) pp. 2097-2111. 1998 - Publication
"Liquid-Liquid Equilibria in Porous Glasses: Molecular Simulations and Experimental Results," L. D. Gelb, M. Sliwinska-Bartkowiak and K. E. Gubbins, in Fundamentals of Adsorption 6, ed. F. Meunier, pp. 497-502, Elsevier, Paris (1998). 1998 - Publication
"Liquid-Liquid Phase Separation in Cylindrical Pores: Quench Molecular Dynamics and Monte Carlo Simulations," L. D. Gelb and K. E. Gubbins, Phys. Rev. E, 56 #3 (1997) pp. 3185-3196. 1997 - Publication
"Kinetics of Liquid-Liquid Phase Separation of a Binary Mixture in Cylindrical Pores," L. D. Gelb and K. E. Gubbins, Phys. Rev. E, 55 #2 (1997) pp. 1290R-1293R. 1997 - Publication
"Studies of Binary Liquid Mixtures in Cylindrical Pores: Phase Separation, Wetting and Finite-Size Effects from Monte Carlo Simulations," L. D. Gelb and K. E. Gubbins, Physica A, 244 (1997) pp. 112-123. 1997 - Publication
"Phase Separation for Mixtures in Well-Characterized Porous Materials: Liquid-Liquid Transitions," M. Sliwinska-Bartkowiak, R. Sikorski, S. L. Sowers, L. D. Gelb and K. E. Gubbins, Fluid Phase Equilibria 136 #1-2 (1997) pp. 93-109. 1997 - Publication
"Decorated Lattice Models for Surface Phase Transitions," L. D. Gelb, Molecular Physics, 88 #6 (1996) pp. 1541-1561. 1996 - Publication
"Surface Melting and Layering Transitions from a Lattice-Gas Model," L. D. Gelb, Phys. Rev. B, 50 #15 (1994) pp. 11146-11150. 1995 - 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]