Products

Instructional Cluster Intro

Kyle Krick | 2023

Containerization of QUICK

Kyle Krick | 2024

An open source, GPU enabled, *ab initio* and density functional theory program developed by Götz lab at University of California San Diego and Merz lab at Michigan State University. Features...

Documentation of Benchmarking of Containerized QUICK

Kyle Krick | 2024

This is a sphinx based documentation for QUICK QM package (https://github.com/merzlab/QUICK) developed by Götz lab at University of California San Diego and Merz lab at Michigan State University.

Benchmarking of Containerized QUICK

Kyle Krick | 2024

Scripts and results from benchmarking containerized [QUICK](https://github.com/merzlab/QUICK). The goal of this repo is to compare containerized QUICK to a local installation of QUICK on various...

CSUSB Summer Research Program in AI/ML

Nabeel Alzahrani | 2024

I created the Summer Research Program in AI/ML for undergraduate STEM majors interested in learning more about Artificial Intelligence (AI) and Machine Learning (ML).

Educational aids or Curricula

Hovakim Grabski | 2024

The GitHub repository "CIP_Nextflow_on_HPC" is a comprehensive guide to leveraging Nextflow for deploying tasks on high-performance computing (HPC) systems, with a specific focus on SLURM-based environments.

Instructional Intro to NextFlow on HPC

Hovakim Grabski | 2024

This repository is designed to be an interactive introduction on how to use Nextflow on HPC within the CIP. This intro assumes that you are familiar with...

Software Container for FourCastNet

Henry Li | 2024

Researchers at San Diego State University wanted more computation power to train and run inference on FourCastNet.

Nextflow Core Quickflow

Hovakim Grabski | 2025

nf-core/quickflow is a bioinformatics/cheminformatics pipeline that automates the generation of synthetic quantum chemistry data for AI/ML training, which is crucial in fields like biophysics...

Singularity Conversion of NVIDIA Containers for Expanse NAIRR Expansion

Victoria Nguyen | 2025

This project will create Singularity containers for SDSC’s Expanse NAIRR Expansion, using NVIDIA’s published AI and ML Docker containers as a starting point. These Singularity containers are...

RAG For NAIRR Resources Project

Henry Li | 2025

This is a RAG based chatbot that uses the NAIRR API to collect URLs to generate a database of NAIRR resources for inference.

Containerizing FourCastNet for Kubernetes Cluster

Henry Li | 2025

This repository contain code and yaml for the Shen Climate Lab for use on the National Research Platform Nautilus hyper-cluster.

Accessible AI and HPC Education for All

Nabeel Alzahrani | 2025

High-performance computing (HPC) and artificial intelligence (AI) are increasingly critical in research and industry, yet opportunities to learn these skills remain limited for many students and...

Developing AI & Machine Learning Training Materials for NAIRR Researchers on SDSC Voyager

Choonhan Yoon | 2026

This project will develop practical, beginner-friendly training materials to guide NAIRR researchers in using SDSC Voyager, a Kubernetes-based system with Habana Gaudi accelerators.

About an AI-assisted mobile solution to reliably diagnose Obstructive Sleep Apnea (OSA)

Dung Vu | 2025

Obstructive sleep apnea (OSA) occurs due to improper functioning of the upper respiratory tract. When the muscles of the hard palate in the back of the throat that supports the soft palate relax...

Easily Deployable Service Stack for Research and Education on NAIRR Kubernetes Clusters

Brendan Dennis | 2026

This project will develop a stack of commonly used services (JupyterHub, Coder, Globus, shared storage, authentication, authorization, LLMs, graphical desktops) that research labs or training classes can deploy with relatively little effort to Kubernetes clusters.

Lowering Barriers to AI and Machine Learning for Kinesiology Researchers

Christopher Hill | 2026

This project will develop concise, discipline-specific training materials that enable kinesiology researchers—who rarely use high-performance computing—to adopt NAIRR-supported AI and machine-learning workflows on SDSC Expanse.

Democratizing access to Quantum Chemistry via a Python interface for GPU-accelerated open-source package QUICK

Vikrant Tripathy | 2026

Molecular simulations are key in diverse fields such as designing novel materials for applications such as energy storage and catalysis, pharmaceutical drug-design in computational biochemistry, etc...

Scalable MATLAB on Expanse - Micro-Guides with Portable Best Practices

Aram Valifar | 2026

This project supports NAIRR’s mission to democratize AI research resources by removing HPC barriers for researchers using MATLAB in AI/ML workflows.