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2020spring-computational-method

哈工大计算机学院2020春课程计算方法（数值分析）

an_introductory_tutorial_of_quantum_chemistry

applied-ai-for-materials

Course materials for "Applied AI for Materials Science and Engineering"

chem_313

Computational chemistry course

computer-simulation-of-liquids

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.

cookbook-2nd

IPython Cookbook, Second Edition, by Cyrille Rossant, Packt Publishing 2018

data-science-in-chemistry

Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020

datashine

《Python统计与数据分析实战》课程代码，包含了大部分统计与非参数统计和数据分析的模型、算法。回归分析、方差分析、点估计、假设检验、主成分分析、因子分析、聚类分析、判别分析、对数线性模型、分位回归模型以及列联表分析、非参数平滑、非参数密度估计等各种非参数统计方法。

dft-exercises

DENSITY FUNCTIONAL THEORY EXERCISES

ech60

Numerical Methods using Python

espresso

Notes and tutorials on density functional theory calculations using Quantum Espresso.

hubbard-koopmans-2022

Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

lecturewkmbp2020

Lecture material for the TU Dresden course "Numerics and computer simulations in soft condensed matter"

linalgbook

Python and MATLAB code for linear algebra textbook.

machine-learning

Jupyter Notebooks for Teaching Machine Learning in Materials Science

math-methods-chemical-engineering

Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter notebooks

mathinmse.github.io

Applied Matematical Methods in Materials Engineering

nano281

Data Science for Materials Science

nm4p

Programs for "Numerical Methods for Physics" by Alejandro Garcia

numerical-analysis-from-scratch-using-python

numerical-analysis-python

数值分析的python实现

numerical-methods-1

First numerical methods course for geoscience undergraduates

numericalanalysis

用Python+Numpy+Pytorch实现《数值分析》(Timothy Sauer著)的所有算法

numericalanalysismethods

Numerical analysis methods for a university course

numericalmethodsphysicswithpython

Codes, tutorials and other resources associated with the textbook "Numerical Methods in Physics with Python" by Alex Gezerlis

polymer-physics

polymerphysicsexamples

Jupiter Notebooks for polymer physics

python-for-environmental-research

Teaching materials for an introduction to using Python for environmental research (UNC Department of Environmental Sciences and Engineering)

python-simulations-for-the-education-of-electrochemists-and-electrochemical-engineers

Simulations primarily directed toward education, specifically developing intuition about how electrochemical systems behave.

qe-ssp

This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Saito.