Daniel B. Email & Phone Number

Portland, Oregon Metropolitan Area

Develop, deploy, and maintain machine learning models to support the semiconductor manufacturing process.

Center for Nonlinear Studies Postdoctoral Fellow

Greater Pittsburgh Area

Research- Density functional theory energy decomposition analysis of non-covalent interactions with Buckybowls under an applied electric field.- Developed C++/Python program to calculate tight-binding electron transport properties using nonequilibrium Green’s function formalism.- Calculated vibrational energy transfer in Buckybowls using ab initio molecular dynamics and classical vibrational theory.- Investigated transition states in polymerization process of silyl ketenes using the growing string method with semi-empirical theory.- Contributed open source software for linear algebra, building molecular systems, and visualization.Leadership- Organized electronic structure book discussion among theory graduate students.- Organized programming study group (Python, C++, OpenMP) among computationalgraduate students.- Guided undergraduate student researcher in using semi-empirical calculations todetermine polymerization reaction barriers.

Responsible for developing QSAR models for toxicity predictions with data from the EPA chemical database.Skills Utilized:- Supervised Learning: Random Forest, Linear Regression- Feature Generation- Feature Selection- Applicability Domain Assessment

Los Alamos, Nm

- Implemented FORTRAN90 code to calculate electron resistivity/conductivity using full T-matrix scattering approach.Burrill, D. J., et al. "Comparison of electron transport calculations in warm dense matter using the Ziman formula." High Energy Density Physics 19 (2016): 1-10.https://www.sciencedirect.com/science/article/pii/S1574181816300015

Burlington, Vermont Area

Research- Performed Hubbard-corrected density functional theory calculations on the spin exchange in 1d chains of dilute transition metal phthalocyanines.Leadership- Teaching Assistant for undergraduate mechanics and E&M laboratory courses. Studentbackgrounds ranged from medical to physics majors.- Organized condensed matter theory seminars for both graduate students and faculty.Masters Thesis: Density Functional Theory Study of Dilute Transition Metal Phthalocyanineshttps://scholarworks.uvm.edu/graddis/508/

Research- Study of the structural and electronic properties of Mo doped WO3 and WO3 with O vacancies using VASP (DFT)- Responsible for python data analysis scripts supporting electronic structure and optimization.

Research- Calculated the elastic constants of substitutional-alloys of titanium diboride structures using the software package CRYSTAL (DFT).Leadership- Guided junior undergraduate student in research project covering the technical aspects ofdensity functional theory and working with local high performance computing.

Doctor Of Philosophy (Ph.D.), Computational Science

Ph.D. at the Center for Simulation and Modeling with emphasis on computational chemistry.

Master'S Degree, Physics

Bachelor Of Science (Bs), Physics