High-Performance Computing Laboratory

9508543佩里肯塔基大学数学系和统计系将购买高性能计算设备，用于支持数学科学的研究。该设备将大大推进以下研究项目：大规模数值线性代数问题。作为LAPACK继续项目的一部分，白教授将致力于大规模特征值问题的数值算法的理论分析和实现。核磁共振数据中的分子构象。寻找分子构象是高性能计算和通信(HPCC)中的一个大挑战问题。海登教授将开发算法，根据核磁共振数据计算分子构象，并通过量子化学程序交换分发生成的软件。散射共振的数值研究。佩里教授将研究双曲曲面的散射共振分布，以阐明经典动力学和量子散射之间的联系。用于稳健回归的动画情节。斯特龙伯格教授将研究如何使用动画残差图来帮助从业者为稳健回归估计器选择参数，以及如何使用各种稳健回归参数估计值的三维图来区分估计值。

9508543 Perry The Departments of Mathematics and Statistics at the University of Kentucky will purchase high-performance computing equipment which will be dedicated to the support of research in mathematical sciences. This equipment will substantially advance the following research projects: Large-Scale Numerical Linear Algebra Problems. As a part of the continuing LAPACK project, Professor Bai will work on theoretical analysis and implementation of numerical algorithms for large-scale eigenvalue problems. Molecular Conformations from Nuclear Magnetic Resonance (NMR) Data. Finding molecular conformations is a "Grand Challenge" problem in high-performance computing and communications (HPCC). Professor Hayden will develop algorithms to calculate molecular conformations from NMR data and distribute the resulting software through the Quantum Chemistry Program Exchange. Numerical Investigation of Scattering Resonances. Professor Perry will study the distribution of scattering resonances for hyperbolic surfaces in order to elucidate the connection between classical dynamics and quantum scattering. Animated Plots for Robust Regression. Professor Stromberg will study how animated residual plots can be used to assist practitioners in selecting parameters for robust regression estimators as well as how three-dimensional plots of various robust regression parameter estimates can be used to differentiate between the estimates.