Phases Research Lab
- 59 followers
- Pennsylvania State University, University Park, PA
- https://phaseslab.org
- https://software.phaseslab.org
- https://publications.phaseslab.org
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Repositories
- MatSE580GuestLectures Public Forked from ShuangLin212/MatSE580GuestLectures
Student Lectures on running and using pycalphad and ESPEI
- crystALL Public
Data-driven crystal structure prediction and ergodic candidate ensemble discovery beyond the convex hull, embracing structural diversity and compositional uncertainty. Under name `crystall-search` on PyPI.
- PublicationsList Public
The curated list of Phases Research Lab / Zi-Kui Liu Group Publications, Books, Theses, and More
- AMMap Public
Additive Manufacturing Mapping of Compositional Spaces with Thermodynamic, Analytical, and Artificial Intelligence Models
- pySIPFENN Public
python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.
- SoftwareProjects Public
An index of all software our group members are working on! Deploys a website at:
- dfttk Public
DFTTK automates VASP workflows and post-processing with a minimal, transparent approach.
- pyzentropy Public
A simple Python package that implements the recursion property of entropy for first-principles thermodynamic calculations.
- MaterialsMap Public
MaterialsMap is Python package for mapping properties, manufacturing feasibility, and desirability. We focus on guiding materials design graphically while proving API to underlying methods.
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