Graphics Workstations in Physical, Inorganic, and Biochemistry

该项目将购买Silicon Graphics Indigo工作站，以及软件包SYBLL和SPARTAN。该设备将允许实际分子的计算作为教学原则的基础，在无机，p -化学，和生物化学课程。在其他应用中，我们将使用从头算和半经验计算来研究化学键的性质。实时图形将允许学生可视化波函数、静电势图、轨道对称性和分子运动，使这些抽象的原理更加具体。将这些课程建立在真实分子的计算和可视化的基础上，可以开始在学生学习课程原理的方式上发生重大转变，为其他本科教师提供一种创新的选择。＊＊＊

Josefson 9351618 The project will purchase Silicon Graphics Indigo Workstations, along with the software packages, SYBLL and SPARTAN. This equipment will allow calculations on real molecules as the basis for teaching principles in the inorganic, P-chem, and biochemistry courses. Among other applications, we will use ab initio and semi-empirical calculations to investigate the nature of the chemical bond. Real-time graphics will allow students to visualize wave functions, electrostatic potential maps, orbital symmetries, and molecular motions, making these abstract principles more concrete. Basing these courses on calculations and visualization of real molecules could begin a major shift in the way students learn course principles, providing an innovative alternative for other undergraduate teachers. ***