Austin M. Wallace's Projects
Data analysis to find the onset value
AutoDock Vina
Counts cells of specific color in images across time to track count vs time
Created for the Ole Miss SMACS organization to promote general chemistry final exam studying through a fun interface.
Component-based Learned Intermolecular Force Field
Materials from the MolSSI workshop 2019
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Provides cpp functions for running -D4 dispersion (2body and ATM) in python
Testing DLPNO CCSD
Select MGLToolsPckgs updated to Python3
Takes diatomic potential energy curves and associated dipoles for each step.
Dye sensitized solar cell
This displays a simple mac installation of eigen.
Tools for using pixi.js in Expo
Contribution for 24' LLM Hackathon for Applications in Materials and Chemistry
Provides a more standardized way to build simint and gtfock to be used in Psi4
Buzz Matrix
Use main thread to communicate with SQL database and run passed functions on worker threads.
Through using quantum calculations and statistical mechanics, this monte carlo
A launch point for your personal nvim configuration
"C interface" to integral library used by GTFock
Provides a template for making markdown files for nice latex output
MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calculations and molecular dynamics simulations of atomistic systems.