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.

量子计算机（quantum computers）凭借革新计算范式的巨大潜力，即将攻克当前经典计算机无法解决的各类难题。其独有的分子、原子行为模拟能力，可助力研究人员深入理解材料属性并精准预测相关特性。本试点项目面向材料科学与化学领域的本科生、研究生及研究人员，打造一套量子计算培训课程体系。该课程体系涵盖量子计算基础、量子模拟及量子机器学习内容，将依托IBM量子硬件与由高性能计算（HPC）驱动的NVIDIA CUDA Quantum GPU模拟器，并配套用于原子级结构与材料属性研究的经典与量子模拟工具。这项为期两年的项目将分别于2025年夏季在普渡大学（Purdue University）、2026年夏季在亚利桑那州立大学（Arizona State University）开设线下量子计算培训工作坊。此外，本项目将在整个学年提供线上培训教程，通过美国国家科学基金会（NSF）的ACCESS项目及其他渠道覆盖参训人员。