This Special Topic issue entitled “From Quantum Mechanics to Force Fields” is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

中文翻译：

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前言：专题：从量子力学到力场

本期专刊名为“从量子力学到力场”，致力于理论化学界的不断努力，以基于高级电子结构计算的数据开发新一代的精确力场，并开发更快的电子结构方法用于测试和设计力场以及进行仿真。本期包括35篇原创研究文章的集合，这些文章阐明了该领域的最新理论进展。它提供了有关方法生成的最新进展的及时快照，这些方法可以对化学，物理，生物物理学和材料科学中重要的过程进行更准确的分子模拟。