paulchern Goto Github PK

1d_chain-bfo

aiida_core

The official repository for the AiiDA code

benmol

A simple density functional theory program written in Mathematica

chern_nubmer_calculation

Using different method to calculate Chern number for Haldane model

dft

A library for Density Functional calculations

dft-scripts

collection of scripts for density functional theory simulations

exchanges

Exchange parameters of Heisenberg model calculation via Green's function approach

gasp

Genetic Algorithm for Structure and Phase Prediction

gasp-python

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

genetic

simple genetic algorithm hack

genetics

A python library for genetic algorithms

gsnova

Private proxy solution.

heisenberg

Heisenberg: a program to the matrix calculation of the Heisenberg model in spin chains

im2ode

Inverse Design of Materials by Multi-objective Differential Evolution

invaripy

kdotp-symmetry

A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.

l-invariants

Phase field / Ladau model builder

linvariant

mars

Software for simulating magnetic materials with stochastic Landau-Lifshitz-Bloch micromagnetics

mathematica-tools

One-off tools and packages

matplotlibexamples

Information about Matplotlib

mpinterfaces

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

mupro-xplotform-interface

nature-tex

LaTeX template and build code for a Nature style research article submission

optim

OptimLib: a lightweight C++ library of numerical optimization methods for nonlinear functions

paul_chern_scripts

pwmat2phonopy

PWmat interface to phonopy

scripts

Various scripts used to maintain Fink, the web site and the binary distribution. They are not intended for use by the general public.

sod

Site-Occupation Disorder

stone-zeng.github.io

Personal website of Xiangdong Zeng