Purchase of a High Perfomance Workstation

约翰·Z H.纽约大学化学系的张教授说， 由理论与计算化学基金会资助 程序以获得高性能工作站。该工作站将 用于执行与教授有关的数值密集型计算。 本文介绍了张先生在研究非线性动力学性质方面的研究计划。 分子过程时间相关的量子动力学计算将是 研究小分子在金属表面的反应。的 工作站还将用于进行高维计算， 氢键的振动光谱和离解动力学 像HF和HCl二聚体这样的簇。

John Z. H. Zhang at the Department of Chemistry, New York University, is supported by a grant from the Theoretical and Computational Chemistry Program to obtain a high performance workstation. This workstation will be used to perform numerically intensive computations related to Prof. Zhang's research program on the study of the dynamic properties of molecular processes. Time dependent quantum dynamics calculations will be performed to study the reaction of small molecules on metal surfaces. The workstation will also be used to perform high-dimensional calculations of the vibrational spectrum and the dissociation dynamics of hydrogen bonded clusters like the HF and HCl dimers.