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


An Investigation of Enhanced Secondary Ion Emission Under Au_n+ (n = 1-7) Bombardment, G. Nagy, L. D. Gelb and A. V. Walker, J. Am. Soc. Mass. Spec. 16 (2005) pp. 733-742. 2005 - Publication
Off-Lattice dynamic Monte Carlo Simulations of Aggregation in One Dimension, R. Salazar and L. D. Gelb, Physica A, 356 (2005) pp. 190-195. 2005 - Publication
Application of the Bethe-Peierls Approximation to a Lattice-Gas Model of Adsorption on Mesoporous Materials, R. Salazar and L. D. Gelb, Phys. Rev. E 71 (2005) art. no. 041502. 2005 - Publication
Adsorption in Controlled-Pore Glasses: Comparison of Molecular Simulations With a Mean-Field Lattice Gas Model, L. D. Gelb and R. Salazar, Adsorption, 11 (2005) pp. 283-288. 2005 - Publication
An Investigation of the Effects of the Structure of Gel Materials on Their Adsorptive Properties Using a Simple Lattice-Gas Model, L. D. Gelb and R. Salazar, Molecular Physics 102 (2004) pp. 1015-1030. 2004 - Publication
Molecular Dynamics Simulations of the Polymerization of Aqueous Silicic Acid and Analysis of the Effects of Concentration on Silica Polymorph Distributions, Growth Mechanisms, and Reaction Kinetics, N. Z. Rao and L. D. Gelb, J. Phys. Chem. B, 108 (2004) pp. 12418-12428. 2004 - Publication
Modeling Laser-Assisted Particle Removal Using Molecular Dynamics, K. M. Smith, M. Y. Hussaini, L. D. Gelb and S. D. Allen, App. Phys. A, 77 (2003) pp. 877-882. 2003 - Publication
Pore Size Distribution of Porous Glasses: A Test of the Independent Pore Model, S. Figueroa-Gerstenmaier, J. Bonet Avalos, L. D. Gelb, K. E. Gubbins and L. F. Vega, Langmuir , 19 #20 (2003) pp. 8592-8604. 2003 - Publication
Molecular Modeling of Fluid-Phase Equilibria Using an Isotropic Multipolar Potential, E. A. Muller and L. D. Gelb, Ind. Eng. Chem. Res. 42 #17 (2003) pp. 4123-4131. 2003 - Publication
Monte Carlo Simulations Using Sampling From an Approximate Potential, L. D. Gelb, J. Chem. Phys. (2003) 118 #17, pp. 7747-7750. 2003 - 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]