My group conducts theoretical and computational research in condensed-matter and materials physics. We focus on materials phenomena and applications for which the relevant physics takes place at the atomic scale. In this regime it is usually necessary to treat the atomic interactions using quantum mechanics.Our approach is to investigate materials from first principles using Density Functional Theory. In addition, we use a variety of techniques to investigate the dynamical behavior of materials, including lattice dynamics, vibrational Green's functions, molecular dynamics, and kinetic Monte Carlo simulations.
My research interests cover a broad range of materials and phenomena, at both the fundamental and applied levels. Specific areas of interest include: surface structure and reactivity, molecule-surface interactions, nanocrystals, transtion-metal oxides, matter transport in solids, energy-exchange processes, structure and dynamics of lattice defects, solid-solid phase transitions, high-pressure phenomena, and compound solid solutions.
J. L. Dupuy, S. P. Lewis, and P. C. Stancil, “A comprehensive study of hydrogen adsorbing to amorphous water ice: Defining adsorption in classical molecular dynamics,” Astrophysical Journal, 831:54 (2016).
V. K. Veeraghattam, K. Manrodt, S. P. Lewis, and P. C. Stancil, “The sticking of atomic hydrogen on amorphous water ice,” Astrophysical Journal, 790:4 (2014).
V. A. Shubert and S. P. Lewis, “Size-dependence of infrared spectra in niobium carbide nanocrystals,” International Journal of Modern Physics C 23, 124001 (2012).
S. J. Thompson and S. P. Lewis, “Oxygen pairing on the highly non-stoichiometric (110) surface of TiO2,” Physics Procedia 7, 103 (2010).
S. J. Thompson and S. P. Lewis, “Revisiting the (110) surface structure of TiO2: A detailed theoretical analysis,” Physical Review B 73, 073403 (2006).