KDI: A Framework for Particle Simulation from Proteins to Planetesimals

Lake，GeorgeAST-9979891Dr. Lake和合作者将在他们之前的N体模拟和分析算法以及可视化技术的基础上，提供一个更广泛的框架，并采用开放的开发方法。 跨学科团队将创建一个面向对象的框架，1）允许在天体物理学中使用代码时具有更大的灵活性，添加关键元素，如平滑粒子流体动力学和星子碰撞动力学，2）允许模块易于借用其他应用程序，3）将蛋白质折叠整合到当前系统中，并为从事全球气候模型和大气数据同化的小组提供模块，4）将代码与可视化包集成，允许计算转向和与数据的更强比较，以及5）保留当前代码在各种计算机架构上有效运行的能力。 这些模拟将使他们能够解决各个领域的问题，从天体物理学到太阳系的形成和演化，再到蛋白质折叠和气候建模。

Lake, GeorgeAST-9979891Dr. Lake and collaborators will build on their previous algorithms for N-body simulations and analysis and visualization techniques to provide a broader framework and adopt an open development approach. The interdisciplinary team will create an object-oriented framework that 1) allows for greater flexibility in the use of the code in astrophysics, adding key elements such as smoothed particle hydrodynamics and collisional dynamics of planetesimals, 2) permits modules to be easily borrowed for other applications, 3) integrates protein folding into the current system and provides modules to groups doing global climate models and atmospheric data assimilation, 4) integrates the code with a visualization package allowing for both computational steering and stronger comparisons with data, and 5) preserves the ability of the current code to run efficiently on a wide variety of computer architectures. The simulations will allow them to address questions in a variety of fields, from astrophysics, to the formation and evolution of the solar system, to protein folding, and climate modeling.