Pinned Repositories
atom
Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
bks-silica
Simulations of BKS silica in LAMMPS
cel48-charmm
cnt-gaff
Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
cnt-martini
Generates Martini models for open carbon nanotubes to use with Gromacs.
easy-pair-table-lammps
A relatively simple python tool to create any pair potential to use with the LAMMPS pair_style table option, and provides an automatic check against the pair_write output.
junzhou.github.io
lammps_education_gcmc_win
lammps_education_reaxff_win
LAMMPS_Examples
Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
junzhoux's Repositories
junzhoux/cnt-martini
Generates Martini models for open carbon nanotubes to use with Gromacs.
junzhoux/atom
Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
junzhoux/bks-silica
Simulations of BKS silica in LAMMPS
junzhoux/cel48-charmm
junzhoux/cnt-gaff
Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
junzhoux/easy-pair-table-lammps
A relatively simple python tool to create any pair potential to use with the LAMMPS pair_style table option, and provides an automatic check against the pair_write output.
junzhoux/junzhou.github.io
junzhoux/lammps_education_gcmc_win
junzhoux/lammps_education_reaxff_win
junzhoux/LAMMPS_Examples
Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
junzhoux/lammpscn
junzhoux/MachineLearning
Basic Machine Learning and Deep Learning
junzhoux/martini-forcefields
Collection of interaction and molecule parameters for the Martini3 force-field
junzhoux/Mirheo
Computational Microfluidics
junzhoux/nanoparticle_optimization
NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching
junzhoux/OCTP
On-the-fly calculation of Transport Properties
junzhoux/PoreBlazer
PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from the CSD MOF.
junzhoux/pySimFrac
Python module for synthetic generation of rough fracture surfaces
junzhoux/RASPA2
Classical molecular simulation code
junzhoux/simple_lammps_tutorial
A simple tutorial for simulating polymers in LAMMPS.
junzhoux/sportran
A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermocepstrum"]
junzhoux/StripedNP_top_2019
Supplementary information regarding NP topologies in GROMACS
junzhoux/surfactant-model
junzhoux/Swarm-CG
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
junzhoux/tools_for_MD_analysis
This repository contains a selection of handy tools for MDAnalysis.
junzhoux/ucas-workshop
Material for the workshop portion of the "Theoretical and Computational Chemistry: Modeling Methods in Chemical Engineering" course at the University of Chinese Academy of Sciences
junzhoux/Water_Viscosity_Calculation
Software developed by Ando group at Tokyo University of Science
junzhoux/WorkshopHackathon2018
Materials, issues and things for the 2018 Workshop and Hackathon