Pinned Repositories
DFT
A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e. near an infinite hard or soft wall.
FSSH
Python implementation of Tully's Fewest Switches Surface Hopping
indus
Implements the INDUS method for several probe volume geometries.
Ising
A C++ program for simulating the 2D Ising model using classical Monte Carlo method. External magnetic field is introduced. Spontaneous magnetization is observed below the transition temperature. Hysteresis loop for magnetization versus external field emerges below the transition temperature.
Ising-Model
A python script that uses the metropolis algorithm to simulate a 2D Ising lattice
libra-code
lizhuzh.github.io
:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.
MD-simulation-files
These are the input files for MD simulation in Gromacs 5.0+
MethaneEthaneDCModels
Simulation Input Files for Dielectric-corrected (DC) models of liquid methane and ethane. See https://arxiv.org/abs/2011.12481 for details.
mmtools
Some collected tools for molecular simulation pipelines
lizhuzh's Repositories
lizhuzh/DFT
A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e. near an infinite hard or soft wall.
lizhuzh/FSSH
Python implementation of Tully's Fewest Switches Surface Hopping
lizhuzh/indus
Implements the INDUS method for several probe volume geometries.
lizhuzh/Ising
A C++ program for simulating the 2D Ising model using classical Monte Carlo method. External magnetic field is introduced. Spontaneous magnetization is observed below the transition temperature. Hysteresis loop for magnetization versus external field emerges below the transition temperature.
lizhuzh/Ising-Model
A python script that uses the metropolis algorithm to simulate a 2D Ising lattice
lizhuzh/libra-code
lizhuzh/lizhuzh.github.io
:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.
lizhuzh/MD-simulation-files
These are the input files for MD simulation in Gromacs 5.0+
lizhuzh/MethaneEthaneDCModels
Simulation Input Files for Dielectric-corrected (DC) models of liquid methane and ethane. See https://arxiv.org/abs/2011.12481 for details.
lizhuzh/mmtools
Some collected tools for molecular simulation pipelines
lizhuzh/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
lizhuzh/PhaseSeparation
Python Code for Interactively Investigating Flory-Huggins Model
lizhuzh/prog_practices_demo
Repository accompanying the Patel Group tutorial on good programming practices.
lizhuzh/pytorch-beginner
pytorch tutorial for beginners
lizhuzh/SAMPL9
lizhuzh/Tutorials_DFTB_plus
Tutorials with density functional tight-binding (DFTB+) package