PhD - Theoretical Chemistry
Cambridge University - 1995
BA - Chemistry
Columbia University - 1992
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
Potential (force-field) development
Statistical data analysis
Liquid structure theory
Molecular Simulation of Capillary Phenomena in Controlled Pore Glasses, L. D. Gelb and K. E. Gubbins, in Fundamentals of Adsorption 7, K. Kaneko et al , eds., (2002) pp. 333-340. 2002 - Publication
The Ins and Outs of Capillary Condensation in Cylindrical Pores, L. D. Gelb, Molecular Physics, (2002) 100 #13 pp. 2049-2057. 2002 - Publication
Location of Phase Equilibria by Temperature-Quench Molecular Dynamics Simulations, L. D. Gelb and E. A. Muller, Fluid Phase Eq., 203 #1-2 (2002) pp. 1-14. 2002 - Publication
Dynamics of the Capillary Rise in Nanocylinders, L. D. Gelb and A. C. Hopkins, Nano Letters, (2002) 2 #11 pp. 1281-1285. 2002 - Publication
Simulations of Capillary Condensation in Porous Glasses, L. D. Gelb and K. E. Gubbins, AIChE Symposium Series, (2001) 97 #325, pp. 292-295. 2001 - Publication
Phase Equilibria of Multicomponent Systems Using Parallel Molecular Dynamics Algorithms, L. D. Gelb, M. E. Suarez and E. A. Muller, AIChE Symposium Series (2001) 97 #325, pp. 187-190. 2001 - Publication
Characterization of Controlled Pore Glasses: Molecular Simulations of Adsorption, L. D. Gelb and K. E. Gubbins, Studies in Surf. Sci. Catal., 128 (2000) pp. 61-69. 2000 - Publication
"Phase Transitions in Pores: Experimental and Simulation Studies of Melting and Freezing," M. Sliwinska-Bartkowiak, J. Gras, R. Sikorski, R. Radhakrishnan, L. D. Gelb, and K. E. Gubbins, Langmuir , 15 #18 (1999) pp. 6060-6069. 1999 - Publication
"Correlation Functions of Adsorbed Fluids in Porous Glass: A Computer Simulation Study," L. D. Gelb and K. E. Gubbins, Mol. Phys., 96 #12 (1999) pp. 1795-1804. 1999 - Publication
"Pore Size Distributions in Porous Glasses: A Computer Simulation Study," L. D. Gelb and K. E. Gubbins, Langmuir , 15 #2 (1999) pp. 305-308. 1999 - Publication
University of Texas at Dallas [2010–Present]
Washington University in St. Louis [2006–2010]
Washington University in St. Louis [2002–2006]
Florida State University [1999–2002]
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]