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Ayush Gupta's Projects

apollo-11 icon apollo-11

Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.

atomic-structure icon atomic-structure

Modeling atomic structure in Python. In the future, will be expanded to ions, ionization, formation of ionic and covalent compounds, and chemical reactions. This is just the basics.

bright-line-spectra icon bright-line-spectra

Conversion of nanometer wavelength to color, implementation of Rydberg's Formula (and the Balmer series)

crystaltoolkit icon crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps. Project led by @mkhorton.

electric-field icon electric-field

Simulating an electric field with point charges and a test charge

elf-analysis icon elf-analysis

Determining if there are any trends between the electron localization function and errors in predicting formation energy

kinematics icon kinematics

Kinematics based on that from Coding Train. Potential applications to robotics that I should look into.

newtons-method icon newtons-method

Newton's method for accurately approximating zeros of a function using SymPy

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

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