Analysis postprocessing utilities for my molecular dynamics simulations of LiTFSI-Ether mixtures

Advanced crack tip field characterization using conjugate work integrals

A Second ODE Solver using Euler, Euler-Cromer, and Verlet Method

This repository contains implementations of algorithms from the course "Computational Science" at HUST

Physics-informed neural network for 2-D Poisson problems.

Implementations of computational mathematics algorithms in Python.

Learned and written algorithms in Python // Computional Methods in Science and Technology Course // AGH UST Computer Science 2022/2023 //

Configure pipelines of computations for conducting experiments and deployment

Collection of AiiDA WorkChains for Material Discovery Studies

Python script to create and test Turring machines

Course on computational algorithms, which includes integration, differentiation, interpolation and extrapolation.

Carlos Lizarraga-Celaya Personal Website

Useful functions and classes in Python programming.

Bioinspired optimization: algorithms implemented from scratch.

A modification to the Custodian class in custodian (github.com/materialsproject/custodian) to allow for copying the temp_dir to other compute nodes via ssh.

This repository holds my experiments from the Foundations of Computer Science class where we study the theory of computation

Homework for CDS230. problems in ch 11, 12 from Python Data and Computations in the book, Computational Methods for Bioinformatics: Python 3.4, Third Edition by Jason Kinser.

Compute Eigenvalues Efficiently

🐍🐢 Tests of the pynetlogo Python Package

Materials Theory Lab-Computational_Day2DayScripts