Experience

Savannah River National Laboratory

• United States
• Research Services
• 300 - 400 Employee

• Manager, Glass, Cement, and Ceramic Sciences

  • Sep 2023 - 4 months

• Principal Engineer

  • Dec 2018 - Sep 2023

• Senior Engineer

  • Nov 2016 - Dec 2018

  Aiken, SC



Air Force Research Laboratory

• United States
• Armed Forces
• 700 & Above Employee

• Research Scientist

  • Apr 2010 - Oct 2016

  Dayton, Ohio • Utilized first-principles calculations (as implemented in the Quantum Espresso, Wannier90, and EPW packages) to predict electron-phonon interaction parameters. These characteristics provide information on the coupling strength of specific phonons as well as the electron-phonon coupling parameter for use in the two temperature model-molecular dynamics (TTM-MD) approach to quantify the role of electron-phonon coupling on the thermal boundary resistance at metal/non-metallic interfaces… Show more • Utilized first-principles calculations (as implemented in the Quantum Espresso, Wannier90, and EPW packages) to predict electron-phonon interaction parameters. These characteristics provide information on the coupling strength of specific phonons as well as the electron-phonon coupling parameter for use in the two temperature model-molecular dynamics (TTM-MD) approach to quantify the role of electron-phonon coupling on the thermal boundary resistance at metal/non-metallic interfaces. • Band offset engineering of oxide heterostructure interfaces using density functional theory (DFT) (as implemented in the Vienna Ab-initio Simulation Package) • Performed DFT (as implemented in the Quantum Espresso package) calculations to predict the effect of Ti-containing additives on the Al-H bonding nature of the metal hydrides in order to evaluate their ability to improve the dehydrogenation properties of LiAlH4. Electronic structure evaluation included charge transfer, partial density of states, and Lowdin charge analysis. • DFT calculations were utilized to determine the energetically preferred nitrogen-containing basic groups on the activated carbon surface and to gauge the basicity of the functionalities and therefore indicate which functionalities would improve CO2 adsorption. • Employed molecular dynamics simulation to understand the effects of the Al-O interaction parameter and droplet size on the wetting behavior of water on Al. • Utilized non-equilibrium molecular dynamics (NEMD) simulations to predict the thermal conductance at the water-Al interface. Show less



University of Florida

• United States
• Higher Education
• 700 & Above Employee

• Research Assistant

  • Aug 2004 - May 2010

  Employ molecular dynamics to simulate the deposition of strontium titanate and its component oxides on SrTiO3 (100) to understand the effects of surface termination, incident particle size, incident energy and deposition scheme on the morphology and growth of the deposited film. Also utilized temperature accelerated dynamics to understand the surface diffusion mechanisms of ad-atoms and ad-dimers on strontium titanate.