Resources and Links

This page contains useful resources such as previous presentations and links.

Presentations

Prof. Peter gave a seminar at the Experiential AI (EAI) Institute at Northeastern University. Further information such as abstract, slides, and the recording is available here. Also, the recording is embedded below:

Software, Databases, and Models from our Group

• Work function and cleavage energy database:
• ML model to predict the work function of surfaces:
• MatFold Python package to generate cross-validation protocols for Materials Science data: GitHub Repository

Useful Links

• Our group’s GitHub page
• Our group’s knowledge base is maintained on Slite [only accessible to invited group members]
• Northeastern’s High-Performance Computing Cluster Discovery is hosted at the MGHPCC: website and wiki
• Department of Mechanical and Industrial Engineering: website and search for courses
• Package to run Quantum Espresso (QE) with ASE (works with QE v7): ase-espresso
• Commonly used QE pseudo-potentials (PBE): link
• Useful Tutorials can be found on our website here
• Where to ask questions about computational materials science: MatSci Community Discourse and Matter Modeling StackExchange
• Our favorite Python IDE is PyCharm Community Edition and we use Miniconda to manage Python environments