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ChrisWoodgate/README.md

Hi there 👋

My name is Chris Woodgate. I am a theoretical physicist and computational materials scientist, currently an EPSRC Doctoral Prize Fellow and CoSeC Fellow in the School of Physics at the University of Bristol, UK. Here is a link to my Bristol profile. Prior to joining Bristol I was a PhD student and then a Research Fellow in the Department of Physics at the University of Warwick. I maintain a visiting affiliation to Warwick through my position as an Honorary Research Fellow. Here is a link to my old Warwick homepage.

Most broadly, I am interested in the physics of materials, both those which are of fundamental physical interest, as well as those which are of broader technolgical (and, consequently, societal) relevance. A lot of my research is focussed on leveraging quantum mechanical calculations (most frequently those using density functional theory, DFT) to describe how electrons arrange themselves in condensed phases. An accurate description of this so-called electronic structure can then provide fundamental insight into a range of physical phenomena, as well as lead to predictive modelling of a variety of properties for applications. Additionally, I am interested in using information gleaned from such quantum mechanical calculations to build ‘atomistic’ models of materials, where the electrons are ignored and atoms are treated as a set of point-like objects interacting with each other via some form of ‘potential’. Such atomistic models can then be used to study materials at longer lenth and/or time scales than would be possible using methods based on electronic structure alone. Finally, I am interested in the development of new methods for materials simulation, and in writing software implementing these methods.

Current activities focus on the physics of alloys and magnetic systems, including high-entropy alloys and rare-earth-free permanent magnets, with a particular interest in the construction of phase diagrams. In these systems, I use computational modelling to help us better understand the physics of existing materials, to suggest routes by which their properties might be optimised for applications, and to propose new materials compositions with potentially desirable performance attributes. For more information about my research, teaching, and outreach, please check out my personal website.

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  1. BraWl BraWl Public

    Thermodynamics and phase stability of multicomponent alloys using conventional and enhanced sampling techniques applied to the Bragg–Williams Hamiltonian

    Fortran 6 5

  2. GGG_spin_alignment GGG_spin_alignment Public

    Code for examining how the dipole-dipole interaction results in spin-canting in Gadolinium Gallium Garnet (GGG) in the low temperature, high field regime.

    C

  3. chriswoodgate.github.io chriswoodgate.github.io Public

    Personal Website

    HTML

  4. castep_elastic_constants castep_elastic_constants Public

    Forked from andreww/elastic-constants

    Scripts to calculate elastic properties from a set of strained structures in CASTEP

    Python

  5. ase2sprkkr ase2sprkkr Public

    Forked from ase2sprkkr/ase2sprkkr

    ASE to SPR-KKR interface

    PLSQL

  6. ase_asro_calculator ase_asro_calculator Public

    Routines for calculating Warren-Cowley ASRO parameters for a simulation cell described by an ASE Atoms object

    Python