Jon Bender's repositories
OFC_Nonlinear_Spectroscopy
2nd and 3rd order non-linear spectroscopy with frequency comb lasers
chemcoord
A python module for manipulating cartesian and internal coordinates.
Cube-Toolz
Python tool to manipulate Gaussian cube files
den2obj
Generate isosurface from density data
DFTQuantumDot
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
dmrg
A simple Density Matrix Renormalization Group program
doit
task management & automation tool
ElectricField
Electric field lines and equipotentials using Runge-Kutta methods, including adaptive ones
EmpiricalPseudopotential
Band structure computation using empirical pseudopotentials
EventMolecularDynamics
A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
evoMPS
An implementation of the time dependent variational principle for matrix product states
Fortran_Davidson
Davidson eigensolver implemented in Fortran
HartreeFock
A program implementing the Hartree–Fock/self-consistent field method with Gaussian orbitals
hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
IsingMonteCarlo
A program implementing Metropolis Monte Carlo for the 2D square-lattice Ising model and the spin block renormalization
LatticeBoltzmann
A 2D Lattice Boltzmann program
libcint
general GTO integrals for quantum chemistry
matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
mpb
MIT Photonic-Bands: computation of photonic band structures in periodic media
nrg
A simple program implementing the numerical renormalization group
Poisson
Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects
primme
PReconditioned Iterative MultiMethod Eigensolver for solving symmetric/Hermitian eigenvalue problems and singular value problems
prrd
Python RRD tool for generating system statistic graphs
pyCHAMP
An implementation of Quantum Monte Carlo in Python
quimb
A python library for quantum information and many-body calculations including tensor networks.
seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
SSAGES-public
Public release of SSAGES
TightBinding
Semi-empirical tight-binding computation of the electronic structure of semiconductors
westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
xcfun
Exchange-Correlation functionals with arbitrary order derivatives.