Name: Ben Hourahine
Type: User
Company: The University of Strathclyde
Bio: Background: semiconductor defects.
Interests include: electronic structure methods, light and electron scattering, statistical mechanics, correlated electrons.
Location: Glasgow, Scotland
Blog: https://www.strath.ac.uk/staff/hourahinebenjamindr/
Ben Hourahine's Projects
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
The Basic Matrix Library (bml)
Curvature Constrained Splines
Generating geometries for electronic structure calculations from CIF files.
Test example for cmake hello world with library import
A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the Gutzwiller approximation or equivalently Slave-boson approach.
Material for the DFTB+ school in Daresbury 2022
A fast domain decomposition based implementation of the COSMO solvation model
DFTB+ developer guide
Files and scripts used to generate DFTB+ developer pages
External model for DFTB+ code via a library
DFTB+ general package for performing fast atomistic simulations
A conda-smithy repository for dftbplus.
Github pages for dftbplus
Scripts to easily prepare input files to restart DFTB+ MD simulations
Library version of S. Grimmes DFTD3 code.
Displot - Dislocation counter and plotter
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
User friendly, flexible and extensible object-oriented Fortran unit testing framework for testing serial, MPI-parallelized and coarray-parallelized applications
Python powered Fortran preprocessor
Instant unit testing framework for Fortran
Sketch for (10-11) plane
Python routines to manipulate HSD data
i-PI: a universal force engine
A Github template for writing LaTeX documents collaboratively with automatic rendering using Github actions.
molecular point group symmetry lib
Library implementation of the saydx specifications