Jon Bender's repositories
mcmd
Monte Carlo and Molecular Dynamics Simulation Package
edp
Electron Density Plotter
chiML
FDTD code that includes anisotropic chiral materials, and a separate Maxwell-Liouville solver
json-fortran
A Fortran 2008 JSON API
refractiveindex.info-sqlite
SQLite wrapper for the refractiveindex.info database.
ElectronPhononCoupling
Post-processing of electron-phonon coupling calculations from Abinit
exciton1d
Repository containing program to calculate the absorption spectrum and band dispersion of 1D aggregates.
molecular-blender
blend molecules!
mpi4pyscf
MPI parallelization for PySCF
bagel
Brilliantly Advanced General Electronic-structure Library
Polaron-paper-methods
Everything used to analyze Fe2O3 XUV transient absorption data used in the Nat. Mat. paper.
pytenet
Python implementation of quantum tensor network operations and simulations: matrix product states and operators, TDVP time evolution, support for quantum numbers, ...
crispy
Core-Level Spectroscopy Simulations in Python
pyCV
Used to process CV data from CHI660E Electrochemical Workstation
abitools
Tools for producing Abinit inputs with python
XtalOpt
Official public repository for the XtalOpt crystallographic evolutionary algorithm
wavefuse
Gray-Scott reaction-diffusion system in 3D using CUDA
material-components
Documentation and policies for Material Components (all platforms)
nimbus
Lightweight (restricted) Hartree-Fock program for calculating wavefunction values
pyberny
Molecular structure optimizer
exciton_para
Repository containing utility programs to help parameterize the Holstein Hamiltonian used in the Repositories exciton1d and exciton1d_td from ab-inito Gaussian09 calculations.
Buckyball-Ising-Model
We give the solutions for the Song-Shan-Hu Sping School Coding Challenge in this repo.
aiida-ase
AiiDA plugin for ASE
Ising_OPV
A C++ software tool for generating and analyzing model bulk heterojunction morphologies in a parallel computing environment
matlab2fortran
Performs some simple conversions from matlab code to fortran
DavidsonEigen
Implementation of the (matrix free) Davidson Algorithm using Eigen
gijsbertius
Generate hydrogen-like orbitals
OpenFermion-PySCF
OpenFermion plugin to interface with the electronic structure package PySCF.