Ph.D. Computational and Theoretical Chemistry

Wendy M. Lampart

Education

Ph.D. Computational and Theoretical Chemistry

§  Dissertation: Modeling of Titanium Dioxide and Silicon Surfaces

§  Proposal: Kinetic Monte Carlo Studies of the Relationship Between Ionic Conductivity and Structure in Solid Electrolytes

§  Advisor: Kenneth Jordan

§  Phi Lambda Upsilon Honor Society Award

B.S., Chemistry

§  Honors Research: Monte Carlo Simulations

§  Academic scholarship

§  Varsity Track and Cross Country Teams, Women’s Lacrosse Team

Research Experience

§  Ab initio methods: HF, DFT, MP2, MRMP2, CCSD(T), CASSCF, QMC, RPA, rPT2

§  Designed minimal cluster models used for demonstrating which computational methods included enough static and dynamic electron correlation effects to accurately model the ground state of the silicon (100) surface

§  Modeled hydrogen adsorption on the silicon surface showing that surface bound hydrogen creates a strain field that inhibits the buckling of adjacent dimers and extending over several dimers.

§  Explored the photoactivated catalysis of CO2 on TiO2 surfaces using multiple electronic structure methods and energy decomposition analysis on cluster models to gain information regarding CO2 binding sites, binding geometry and electron transfer between TiO2 and CO2

TechNiCAL Skills

§  Multiple electronic structure packages including: Molpro, Gaussian, VASP, CASINO QMC, and FHI-aims

§  Python (SciPy and NumPy), C, Fortran, gawk, SED, Bash, html, LaTeX

Additional Experience

Laboratory Assistant, Ketchup R&D

§  Performed pilot plant experiments and examined experimental factory processes to reduce production costs and increase yield

§  Successfully performed statistical quality control of factory results to test process robustness, improve yield, reduce cost and improve process understanding

§  Saved money by improving the understanding of consumer ketchup color preferences maximizing the amount of usable tomato paste

§  Created a mathematical model to formulate a given hue of ketchup based on the measured effects of dyes

§  Evaluated the quality of tomato products by examining particle size, syneresis, viscosity, sugar and salt content, color, shelf life stability, acidity and pH

Teacher

§  Taught Chemistry, AP Environmental Science and Chemistry (Limited English)

§  Customized instruction to effectively reach advanced learners, English language learners, and special needs students

§  Worked with co-workers, students, and families to resolve issues and create an effective learning environment

§  Promoted learning by establishing milestones and working with students to track and meet these goals

§  Rhode Island Teaching Fellowship recipient

Mass Spectrometry Assistant

§  Identified organic and biological compounds using MALDI, EI, CI and ESI MS

§  Maintained and calibrated mass spectrometers

Teaching Assistant

§  General Chemistry, Honors General Chemistry, Physical Chemistry

Intern, Automotive Coatings and Colorants Division

§  Shed light on coatings stability by using Temperature Programmed Desorption to analyze the effect of bee pollen droppings on the degradation of polymer coatings at different temperatures

Service

§  Student Seminar Coordinator – Organized weekly department wide talks

§  Volunteer Gilda’s Club – Organization to support breast cancer survivors