Matt McDermott's Projects
Managing the workflows in the Autonomous lab.
New API client for the Materials Project
atomate is a powerful software for computational materials science and contains pre-built workflows.
atomate2 is a library of computational materials science workflows
Identifying an optimal caseload schedule via linear programming. Ideal for professionals with complex caseload constraints (therapists, doctors, social workers, etc.)
Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.
A simple, robust and flexible just-in-time job management framework in Python.
Materials Project Documentation
Be a master builder of databases of material properties. Avoid the Kragle.
The Fireworks Workflow Management Repo.
Code for the paper "Language Models are Unsupervised Multitask Learners"
Persson Group Handbook
C++ Arduino Code for Mechanical Engineering Senior Design Project
MongoDB aggregation machine
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
My personal website.
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
Screening the Materials Project for novel materials to be synthesized by the autonomous laboratory (A-Lab).
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.
Defect analysis modules for pymatgen
The Synthesis App is a web application for retrieving and interacting with Materials Project data relevant to materials synthesis.
The Materials Project Workshop Curriculum