Upgrading of the Computational and Theoretical Facilities in Geochemistry at Yale

该奖项提供购买所需资金的一半 用于升级计算设施的设备， 地质系地球化学研究， 耶鲁大学的地球物理学该大学致力于 提供所需的剩余资金。 升级将包括增加计算机内存，磁盘 空间，并改善现有的图形能力， 系统升级后的系统将主要用于研究 例如硅酸盐的量子力学研究， 玻璃和熔体的分子动力学，蒙特卡罗模拟 晶体生长和溶解的分子研究， 非均相动力学（包括吸附和矿物 溶解），以及流体流动和化学反应的建模 在沉积盆地中。

This award provides one-half the funds required to purchase equipment for upgrading the computational facility for geochemistry research in the Department of Geology and Geophysics at Yale University. The University is committed to providing the remaining funds needed. The upgrade will consist in adding computer memory, disk space, and improving the graphics capability of the existing system. The upgraded system will be used primarily in research projects such as the quantum mechanical study of silicates, molecular dynamics of glasses and melts, Monte Carlo simulations of crystal growth and dissolution, molecular studies of heterogeneous kinetics (including adsorption and mineral dissolution), and modeling of fluid flow and chemical reactions in sedimentary basins.