David Newsome Email and Phone Number

Using atomically-detailed models for predictive capabilities of material behavior to guide experimental effortsExperiments are limited by their scope on physical length scales, expense, and complexity.Using theoretical models can improve understanding of macroscopic performance by considering atomic-scale phenomena.----------------------------------------------------------------------------------Research Engineer at CFD Research Corporation, Huntsville, Alabama- Currently starting work on Molecular Dynamics with reactive force fields- Numerical analysis of thermodynamic properties for energetic compounds----------------------------------------------------------------------------------Post-doctoral research at the Technical University of Delft, Netherlands- Adapted DL_POLY Molecular Dynamics Program to study CO2 and N2 diffusion in ZSM-5 zeolite- Developed Monte Carlo algorithm to study CO2 and N2 adsorption in ZSM-5- Developed Mean Field theories for lattice description of transport in ZSM-5Specialties: Computer Programming in Fortran, Matlab, and C++Numerical modeling of chemical and physical processesMolecular Dynamics (DL_POLY, ReaxFF, DFTB+, LAMMPS)- Member of AIChE and ACS