QC4MC: Developing Quantum Computing Training Curriculum for Materials Scientists and Chemists

Quantum computers, with their potential to revolutionize computation, are on the brink of addressing problems that are currently unsolvable by classical computers. Their unique ability to simulate molecular and atomic behavior for understanding material properties would enable researchers to accurately predict characteristics. This pilot project creates a quantum computing training curriculum for undergraduate, graduate students, and researchers in materials science and chemistry. The curriculum covers quantum computing fundamentals, quantum simulations, and quantum machine learning utilizing both IBM quantum hardware and NVIDIA CUDA Quantum GPU-based simulators powered by high-performance computing (HPC), along with classical and quantum simulation tools for atomic-scale structures and material properties. This two-year project will offer in-person quantum computing training workshops at Purdue University (Summer 2025) and Arizona State University (Summer 2026). Additionally, the project will provide virtual training tutorials throughout the academic year, reaching participants via NSF's ACCESS program and other channels.