Computational modeling is becoming an essential tool in magnetic resonance to design and optimize experiments, test the performance of theoretical models, and interpret experimental data. Recent theoretical research and software development made possible simulations of large spin systems, for example, proteins with thousands of spins, in reasonable time. In the last few years, the Fokker–Planck formalism also re‐emerged due to its ability to handle spatial dynamics. The purpose of this tutorial is to describe advantages and disadvantages of the most common formalisms, the latest developments and strategies to improve the computational efficiency, and to guide users in the setting up of a simulation using the Spinach software.

中文翻译：

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大规模磁共振模拟：教程

计算建模正在成为磁共振设计和优化实验、测试理论模型的性能和解释实验数据的重要工具。最近的理论研究和软件开发使得在合理的时间内模拟大型自旋系统成为可能，例如具有数千个自旋的蛋白质。在过去几年中，福克-普朗克形式主义也因其处理空间动态的能力而重新出现。本教程的目的是描述最常见形式的优缺点、最新发展和提高计算效率的策略，并指导用户使用 Spinach 软件设置模拟。