MRI: Acquisition of a High-Performance Parallel Computer

奥克兰大学化学系将从主要研究仪器(MRI)计划获得一台高性能并行计算机。这一进展将极大地加强辐射损伤DNA的机制、阐明淀粉样蛋白纤维等重要蛋白质的结构和聚集、研究自由基物种中的开壳相互作用、金属-金属相互作用以及冷却顺磁分子和用于量子计算的冷分子等冷物质现象的研究活动。这台高性能的研究级计算机将由化学系的理论和实验科学家共享，用于执行模拟、分子性质和结构的建模、预测光谱和了解化学和物理变化的机制。它将用于本科生和研究生的教学和研究，提供现代计算技术方面的培训。

The Chemistry Department at Oakland University will acquire a high performance parallel computer with this award from the Major Research Instrumentation (MRI) program. This acquisition will greatly enhance research activities involving the mechanisms of radiation damage to DNA, elucidation of the structure and aggregation of such important proteins as amyloid fibers, investigations of open-shell interactions in radical species, metal-metal interactions and cold matter phenomenon such as cooling paramagnetic molecules and cold molecules for quantum computing. The high performance research grade computer will be shared by theoretical and experimental scientists in the Chemistry Department to perform simulations, modeling of properties and structures of molecules, predict spectra and understand mechanisms of chemical and physical changes. It will be used in teaching and research by undergraduates and graduate students providing training in modern computational techniques.