Zack M Williams PhD
Professional Summary
Trained research scientist with a background in Physics and Chemistry. I completed a doctorate in theoretical and computational chemistry in 2024, with research focused on method development and accurately modelling the interactions between electrons using quantum mechanics. Since 2024, I have been working as an independent contractor providing code analysis and data validation to improve large language models (LLMs). Much of my work has focused on software development, computer programming and data analysis to solve problems and optimise results.
Experience
Software Engineer and Data Analyst (Independent Contractor) 2024-
Providing code validation and research for natural language processing (NLP) tasks. Evaluating AI model performance for programming tasks and creating contextual feedback to refine model behaviour.
Education
University of Bristol, Bristol, UK 2018-24
PhD, Theoretical and Computational Chemistry
Thesis: Development of Density Functional Correlation Theories Based on the Unsöld Approximation
Completed as part of TMCS: Theory and Modelling in the Chemical Sciences EPSRC CDT
University of Oxford, Oxford, UK 2017-18
MSc, Theoretical and Computational Chemistry
Completed as part of TMCS: Theory and Modelling in the Chemical Sciences EPSRC CDT
Lancaster University, Lancaster, UK 2013-17
MSci, Natural Sciences
First class honours
Research Publications
Frederick Manby et al.. ”Entos: A Quantum Molecular Simulation Package”. Feb 2019.
Employment History
Tyn Y Capel Inn &Restaurant, Minera, Wrexham 2013–2016
Worked as an assistant manager, bartender, waiter, and kitchen assistant.
Awards
Chancellor’s Medal, Lancaster University, 2017
Awarded for exceptional academic achievement.
Technical Skills
Python: Highly experienced Python developer. Used throughout my PhD research for data analysis and workflow automation. Experienced with using Pandas, Pyplot, SciPy, SciKit-learn, and Jupyter notebooks for data analysis.
Examples:
iOSBuild: A Python project for automating the build process of CMake projects on Apple Devices.
OpenBusAPI: A Flask API providing access to data for UK bus services and operators.
C++/C: The primary languages used throughout my PhD for method development, with experience working on a large codebase for electronic structure calculations and molecular simulations.
Examples:
libuw12: An open-source implementation of the primary method used in my doctoral thesis.
DictCPP: A basic C++ implementation of a Python dictionary.
Rust: I began learning this language more recently and have been actively using it for development since early 2025.
Example:
xmlgenerator: A Rust project for generating fake XML data from an input XSD file. Includes a Python wrapper.
Swift: Learned to use this along with the SwiftUI framework as part of a personal project.
Example:
BusTracker: An iOS app for tracking UK buses.
TypeScript/JavaScript: I have experience of using (primarily) Typescript with React to manage web apps.
Example:
My website: A website showcasing my personal projects and writing.
All example projects are available on my GitHub
I am highly proficient with LaTeX for scientific writing. I have significant experience with computational chemistry software, primarily: Gaussian, Molpro, Orca, Psi4, Qcore, Turbomole, and PySCF. Additionally, I have previous experience with Fortran, Java, C#, SQL, HTML, and other scripting languages.
Language Skills
English (fluent)
Welsh (intermediate)