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Master thesis: JAT (Jraph Attention Networks), a deep learning architecture to predict the potential energy and forces of molecules. Adapts Graph Attention Networks (GATv2) within the Message Passing Neural Networks framework to computational chemistry in JAX
This repository contains some Mathematica notebooks for the calculation of the resurgent transeries of the quantum mechanical quartic double-well potential.
Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.
Government Ownership of Banks is a research project supported by the Young Research Fellow Program of Future Forum. This study focuses on potential agricultural products and factors that public banks should subsidize.