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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
Publications
"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
Appointments
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
Awards
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.