ecustfr

ecustfr's Stars

• brucefan1983/Molecular-Dynamics-Simulation

  Sample codes for my book on molecular dynamics simulation

  Language:Jupyter Notebook15149

• wangshaoyun/LJ_Polymer_CBMC

  Configurational Biased Monte Carlo simulation of LJ Polymer.

  Language:Fortran2

• mchchiang/polymer_monte_carlo

  Configurational Bias Monte Carlo Sampling for Polymers

  Language:C++4

• AhmadPedroQMUL/Rare-events-sampling-python

  Explores sampling techniques for Self-Avoiding Walks (SAWs), mathematical models used to study complex structures like polymer chains. We cover Uniformly Sampled, Pruned and Enriched Rosenbluth Method (FlatPERM) and variations of SAWs measuring different parameters.

  Language:Jupyter Notebook2

• UnderstandingMolecularSimulation/CaseStudies

  Language:Fortran193

• ronceray/UnderdampedLangevinInference

  Python implementation of Underdamped Langevin Inference, a method to infer the dynamical equation of underdamped stochastic systems from discrete noisy time series.

  Language:Python113

• DanielTakeshi/MCMC_and_Dynamics

  Practice with MCMC methods and dynamics (Langevin, Hamiltonian, etc.)

  Language:Jupyter Notebook435

• bdhammel/ising-model

  Python implementation of the Ising model

  Language:Python5716

• prtkm/ising-monte-carlo

  Statistical Mechanics 2D Ising Model Simulations

  Language:Shell9240

• dh4gan/percolation-model

  Simple 2D percolation model code (written in Python)

  Language:Python1911

• DavidMichaelH/statistical-mechanics-models

  Statistical mechanics models such as random cluster models, random growth models and related processes.

  Language:Jupyter Notebook111

• jviquerat/lbm

  A simple full-python 2D lattice-boltzmann code

  Language:Python14025

• williamgilpin/hspmc

  Monte Carlo simulation of hard sphere packing using MATLAB

  Language:Matlab93

• tranqui/monte_carlo

  Hard sphere Monte Carlo: a short course for students

  Language:Python3

• glotzerlab/hoomd-blue

  Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

  Language:C++321126

• dseaton/polymermc

  Monte Carlo simulations of coarse-grained polymers: Metropolis, Wang-Landau for Flexible and Semiflexible chains

  Language:C41

• basnijholt/Markov-chain-Monte-Carlo-polymer-growth

  2014: Grow polymers with the rosenbluth algorithm - IPython notebook

  Language:Jupyter Notebook5

• thomaspijper/Simply

  Kinetic Monte Carlo simulator for polymerization reactions

  Language:C72

• Saharrp95/Monte-Carlo

  changing the interaction energies e11, e22, and e12 will affect the calculated chemical potentials, which are plotted as a function of concentration. Specifically, the chemical potential is a measure of the free energy of a species, which depends on the interaction energy between that species and other species in the system.

  Language:Python1

• NVIDIA/ising-gpu

  GPU-accelerated Monte Carlo simulations of 2D Ising Model

  Language:Cuda4925

• FahimFaizi103/Weighted_Histogram_Analysis_Method

  MATLAB code for unbiasing MCMC umbrella sampling simulations using Weighted Histogram Analysis Method

  Language:Jupyter Notebook51

• jiangj-physchem/Atif

  Language:C++166

• ShangChunLin/ML-cDFT

  machine learning method for approximating free energy functional under classical density functional theory framework

  Language:Jupyter Notebook63

• sritejamantha/cDFT_Nucleation

  This repository accompanies classical density functional theory codes I build to investigate CO2 bubble nucleation in surfactant stabilized polymer foams. Results from this work are published in our Langmuir 2022 article.

  Language:C++3

• ppicu01/DFT_3d_hs_box

  Classical DFT program computing the density profile of hard spheres in a hard box on a GPU

  Language:Cuda2

• dmorse/simpatico

  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids

  Language:C++3017

• zergtant/pytorch-handbook

  pytorch handbook是一本开源的书籍，目标是帮助那些希望和使用PyTorch进行深度学习开发和研究的朋友快速入门，其中包含的Pytorch教程全部通过测试保证可以成功运行

  Language:Jupyter Notebook19.8k5.4k

• dmorse/pscfpp

  Polymer Self-Consistent Field Theory (C++/CUDA version)

  Language:C++2419

• dmorse/pscf-examples

  Examples for pscf (polymer self-consistent field theory)

  Language:Python83

• WenDesi/lihang_book_algorithm

  致力于将李航博士《统计学习方法》一书中所有算法实现一遍

  Language:Python5.7k2k