The 1st Workshop of High-Performance Computing on Nanoscale Materials Research is held collaboratively by the nanomaterials study group within the National Center for Theoretical Sciences and National Center for High-performance Computing. The objective of this workshop is intended to stimulate discussions on the topics of nanoscale materials and the current high-performance computing issues. We sincerely expect that this workshop will provide inside strategies to further your success in studying the nanoscale materials and using the high-performance computing. Also, we are eager to hope the scope of this workshop will serve the interests of the academic community, industry, and the general public. We welcome you to join this workshop and look forward to meeting you in Aug. 2009.