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mwitman1's Projects

awesomecv icon awesomecv

copy of AwesomeCV (https://github.com/posquit0/Awesome-CV) with some personal mods for including publications, adding eye catchers to the beginning of a line, etc.

cgcnn icon cgcnn

Crystal graph convolutional neural networks for predicting material properties.

cgcnndefect icon cgcnndefect

CGCNN with personal modifications for defect calculations

dosanalyzer icon dosanalyzer

Calculation and extrapolation of grand canonical density of states to predict continuous thermodynamic observables for adsorption

flexibleslitpore icon flexibleslitpore

A flexible slit pore model for optimizing deliverable capacity of nanoporous materials

heahydrideml icon heahydrideml

Machine learning models for screening metal hydride thermodynamics

heahydridemlv2 icon heahydridemlv2

Versioned data and jupyter notebooks for building, training, and testing ML models and screening alloys for hydrogen storage

heahydridetk icon heahydridetk

A toolkit for generating HEA and HEA hydride configurations for DFT workflows

iartscience icon iartscience

:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.

nearmincut icon nearmincut

Balcioglu and Wood algorithm to solve the all near min cut problem (ANMCP) in graph theory

plasmarl icon plasmarl

Actor-critic controller for plasma medicine

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