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BTSpeake/README.md

Dr Benjamin T. Speake

About Me

Hi! I'm a computational chemist and research software engineer working at the UKRI Science and Technology Facilities Council (STFC) in Daresbury, UK. I carried out my PhD at the University of Nottingham under Prof. Andrew M. Teale, where I became an active developer of the Quest electronic structure package. I implemented a novel version of the Embedded Fragment Method for molecular clusters for use within an external magnetic field, making efficient use of MPI based parallel programming. In conjunction with my work with the Quest software package, I have developed a molecular viewer user interface to be used independent of or directly with Quest. Both projects are currently unreleased but can be showcased through my published work (papers/thesis). I now work as a developer for the DL_* suite of classical molecular modeling sotware maintained by the scientific computing deparatment of the STFC.

Coding Experience

I have been involved in the development of several different scientific software packages throughout my career covering programming languages such as,

  • Python
  • C++
  • Fortran

Alonside the core languages, the varied nature of my software projects has exposed me to many different APIs such as,

  • MPI
  • Qt
  • OpenGL

I also have gained experience in several other accompanying workflows for aspects such as documentaion (Sphinx), web design (HTML/CSS) and CI/CD.

GitHub Projects

At present, most of my projects you will find here are projects developed as tasks submitted for the Software Engineering bootcamp from HyperionDev, for which I was sponsored by the UK Department of Education. Some projects have been further adapted to improve my general programming skills. The remaining projects are personal hobby projects aimed at learning new skills both in programming and science.

All profesional code bases that I am a developer for are hosted on GitLab:

Pinned

  1. SCF-Solver SCF-Solver Public

    A complex scf solver for molecular systems

    C++

  2. OpenGL_Learning_Project OpenGL_Learning_Project Public

    A project dedicated to teaching myself how to use OpenGL in a C++ project.

    C

  3. ChemToolKit ChemToolKit Public

    A computational chemistry tool kit including file handling and molecular manipulation tools.

    C++

  4. eBookStore-HyperionDev eBookStore-HyperionDev Public

    A stock manager for an eBook store developed as the final task in the HyperionDev software developer bootcamp.

    Python