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Codes for femtosecond laser interaction research
Code for paper "An end-to-end neural network framework for SOH estimation and RUL prediction of lithium battery"
Molecular dynamics simulations of ionic polymer metal composites (IPMCs)
Assets for the 2017 Materials Project workshop
https://gitlab.com/QEF/materials-for-max-qe2021-online-school
《能源环境材料计算模拟方法》学习笔记，包括linux基础命令、pbs作业管理系统、vasp、materials studio等。
This code is based on LIGGGHT3.2.1p version. Copyright goes to DCS Computing Gmbh, Linz, Austria
A Molecular Dynamics simulation project of pyrazinamidase studying its influence in antibiotic resistance of pyrazinamide. The TIP3P water model as implemented in CHARMM (MacKerell) specifies a 3-s…
thonmaker / newton-dynamics
Forked from scummos/newton-dynamicsImplentation of Velocity Verlet, Runge-Kutta (Rk4), for integrating Newton's equations of motions, for reference.
MLNLP: Notes for MIT-Linear-Algebra
《利用Python进行数据分析·第2版》
Simulating a three-body orbit of the Earth-Moon-Sun system using the Euler-Cromer method.
Simple Molecular Dynamics Simulation and Analysis using iPython
Molecular dynamics simulation that models Lennard-Jones particles with periodic boundaries
Python implementation of Molecular Dynamics simulation for CSCI 577
A molecular dynamics simulation of liquid argon using a Lennard-Jones potential.
Various simple Monte Carlo and molecular dynamics codes for a course at USI Lugano in the autumn 2016
Molecular Dynamics implementation, part of the final assignment for the Computational Physics course at the university of Groningen.
A simple molecular dynamics for LJ potential fluid, as a course project
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