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lvthw

machine-learning-in-materials-characterization

This repository contained python code used to analysis Material microstructure and spectral data. Reference https://github.com/pycroscopy.

marvel-college

Teaching materials for a high-school programming camp

materials-for-max-qe2021-online-school

https://gitlab.com/QEF/materials-for-max-qe2021-online-school

mcmd_wang_landau_sampling

This code was written for the course in Monte Carlo and Molecular dynamics, and is meant for computing the density of states of Blume-Capel model using Wang-Landau sampling approach

md-lecture

The most simple molecular dynamics code for lecture using Lennard-Jones potential and Ar.

md-mc-codes-2016

Various simple Monte Carlo and molecular dynamics codes for a course at USI Lugano in the autumn 2016

mdevaluate

A Python package for the analysis of molecular dynamics simulations.

mit-linear-algebra-notes

Notes for MIT-Linear-Algebra

mode-task

PCA and normal mode analysis of proteins

molecular-dynamics

Molecular Dynamics implementation, part of the final assignment for the Computational Physics course at the university of Groningen.

molecular-pynamics

Python MD Code for a semester project

molecular_dynamics

分子动力学模拟（2017年春课程设计）

moleculardynamics

Python implementation of Molecular Dynamics simulation for CSCI 577

moleculardynamics-1

Molecular dynamics simulation that models Lennard-Jones particles with periodic boundaries

mollab

emmm makes molecule manipulated. It is a framework to build and process data for molecule dynamics

montecarlostepupdater

2D Ising model with longer ranger interaction, using the Wolff-Luijten Method

newton-dynamics

Implentation of Velocity Verlet, Runge-Kutta (Rk4), for integrating Newton's equations of motions, for reference.

nma

Normal Mode Analysis for Macromolecules

nma-1

code for normal mode analysis of proteins in Python and (in development) C++

nma-utility

Scripts for normal mode analysis data visualization

normal_mode_analysis

Normal mode analysis from meshes

nrg

A simple program implementing the numerical renormalization group

parallel-tempering-for-spin-glass

Matlab Code for spin glass calculation using parallel tempering method

pexmd

A parallel and extendable molecular dynamics code

phasefield

PRISMS-PF: An Open-Source Phase-Field Modeling Framework

phasefieldgraingrowth

python code for simulation of grain growth using phase field theory

phd-thesis

My (currently work in progress) PhD Thesis on Understanding Crystal Growth

polymer-in-simulation

pomelo

calculate set voronoi diagrams