jarvist
Computational Physicist, searching for Electronic Structure nirvana.
Electronic Structure Heavy Industries
Pinned Repositories
ApproxEffectiveMass
Effective mass from a (VASP?) bandstructure calculation via ApproxFun fitting to the bands, a WIP.
FeynmanKleinert.jl
Workbook to reimplement Feynman and Klenert's 1986 PRA "Effective classical partition function"
ijulia-notebooks
Jarv's Public iJulia Jupyter notebooks; a subfolder to my private repo.
Julia-Phonons
Julia codes to play with Phonons
Julia-SoftModeTISH-DeformationPotential
TISH solver in Julia by discretisation, combined with a deformation potential estimate of Electron-Phonon coupling
migovecsurveydata
Repository for the Tolminski Migovec exploration project Cave Survey data
O3DFT.jl
Orbital free density functional theory. Ain't no Kohn-Sham orbitals here.
PolaronMobility.jl
Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.
Quante.jl
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
jarvist's Repositories
jarvist/PolaronMobility.jl
Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.
jarvist/Quante.jl
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
jarvist/ApproxEffectiveMass
Effective mass from a (VASP?) bandstructure calculation via ApproxFun fitting to the bands, a WIP.
jarvist/migovecsurveydata
Repository for the Tolminski Migovec exploration project Cave Survey data
jarvist/archer-bin
Bin files for launching jobs on the EPSRC ARCHER super computing facility
jarvist/ijulia-notebooks
Jarv's Public iJulia Jupyter notebooks; a subfolder to my private repo.
jarvist/TightBinding.jl
An implementation of Slater-Koster type tight-binding models.
jarvist/2021-PhysicsMachineLearningPracticum
jarvist/FractalLight
Unstable laser cavities and Fractal Light; code from my 2006 MSci project
jarvist/polaron-lambda
Inner-sphere polaron reorgnisation energy (Lambda) from a 4-point calculation; with Gaussian
jarvist/PolaronNotes
Notes on reading the Polaron literature
jarvist/advent-of-code
https://adventofcode.com/ - doing crosswords, but for programmers
jarvist/ASE.jl
Julia Bindings for Atomic Simulation Environment
jarvist/BellDiagonalQudits.jl
jarvist/gnuplot-palettes
Color palettes for gnuplot
jarvist/Gnuplot.jl
Julia interface to gnuplot
jarvist/gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
jarvist/HollowMountainII-2007to2012
Forked from migovecsurveydata; Hollow Mountain 2, 2007--2012...
jarvist/HUGO-PWP
My new Hugo personal web page; exported from Wordpress
jarvist/jarvist-dotfiles
Jarvist's Dotfiles - Vim, SSH, ice, moc, colours, etc.
jarvist/Jarvist-GPS-Data-Routes
jarvist/jarvist.github.io
Public HTML of my repo.
jarvist/juliaphysics.github.io
jarvist/MonteCarlo.jl
Classical and quantum Monte Carlo simulations in Julia
jarvist/NeuralFieldEq.jl
NeuralFieldEq.jl: An efficient solver to compute Neural Field Equations in several scenarios
jarvist/Orlando.jl
"Life, it sings, or croons rather, like a kettle on a hob, Life, life what art thou?"
jarvist/pauxy
Python Based Auxiliary-Field Quantum Monte Carlo
jarvist/QXTools.jl
Julia package for quantum circuit simulation using tensor networks
jarvist/turbo-palette-gnuplot
Turbo palette (GoogleAI) for gnuplot
jarvist/Unitful.jl
Physical quantities with arbitrary units