Lev Gelb

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


"Modeling amorphous porous materials and confined fluids," L. D. Gelb, MRS Bulletin 34 No. 8 (August 2009) pp. 553-624. 2009 - Publication
"Thermodynamic and structural properties of finely discretized on-lattice hard-sphere fluids: virial coefficients, free energies and direct correlation functions," D. W. Siderius and L. D. Gelb, J. Chem. Phys. 131 (2009) 084503. 2009 - Publication
"Predicting Gas Adsorption in Complex Microporous and Mesoporous Materials Using a New Density Functional Theory of Finely Discretized Lattice Fluids," D. W. Siderius and L. D. Gelb, Langmuir 25 (2009) pp. 1296-1299. 2009 - Publication
"Structure, Thermodynamics and Solubility in Tetromino Fluids," B. C. Barnes, D. W. Siderius and L. D. Gelb, Langmuir 25 (2009) pp. 6702-6716. 2009 - Publication
Impact of Diffusion on Concentration Profiles Around Near-Critical Nuclei and Implications For Theories of Nucleation and Growth, J. Diao, R. Salazar, K. F. Kelton and L. D. Gelb, Acta Materialia, 56 (2008) pp. 2585-2591. 2008 - Publication
Meta-Optimization of Evolutionary Strategies for Empirical Potential Development: Application to Aqueous Silicate Systems, B. C. Barnes and L. D. Gelb, J. Chem. Theor. Comput. 3 (2007) pp. 1749-1764. 2007 - Publication
A Molecular Dynamics Study of Laser-Assisted Cleaning: Energy Transfer Medium-Contaminant Particle Interaction, B. Unlusu, K. M. Smith, M. Y. Hussaini, L. D. Gelb and S. D. Allen, J. Comp. Theor. Nanoscience, 4 (2007) pp. 488-493. 2007 - Publication
Simulating Silica Aerogels with a Coarse-Grained Flexible Model and Langevin Dynamics, L. D. Gelb, J. Phys. Chem. C 111 (2007) pp. 15792-15802. 2007 - 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]