Schön J C
Max-Planck-Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart, Germany.
J Chem Phys. 2024 Aug 7;161(5). doi: 10.1063/5.0212867.
Energy landscapes and the closely related cost function landscapes have been recognized in science, mathematics, and various other fields such as economics as being highly useful paradigms and tools for the description and analysis of the properties of many systems, ranging from glasses, proteins, and abstract global optimization problems to business models. A multitude of algorithms for the exploration and exploitation of such landscapes have been developed over the past five decades in the various fields of applications, where many re-inventions but also much cross-fertilization have occurred. Twenty-five years ago, trying to increase the fruitful interactions between workers in different fields led to the creation of workshops and small conferences dedicated to the study of energy landscapes in general instead of only focusing on specific applications. In this perspective, I will present some history of the development of energy landscape studies and try to provide an outlook on in what directions the field might evolve in the future and what larger challenges are going to lie ahead, both from a conceptual and a practical point of view, with the main focus on applications of energy landscapes in chemistry and physics.
能量景观以及与之密切相关的成本函数景观在科学、数学以及经济学等其他各个领域中已被公认为是用于描述和分析许多系统属性的非常有用的范式和工具，这些系统涵盖从玻璃、蛋白质、抽象的全局优化问题到商业模式等诸多方面。在过去的五十年里，在各个应用领域中已经开发出了大量用于探索和利用此类景观的算法，在这些领域中既有许多重新发明，也有大量的交叉融合。二十五年前，为了增加不同领域工作者之间富有成效的互动，举办了一些研讨会和小型会议，致力于对能量景观进行总体研究，而不是仅仅专注于特定应用。从这个角度出发，我将介绍能量景观研究的一些发展历程，并尝试从概念和实际两个角度展望该领域未来可能朝着哪些方向发展以及即将面临哪些更大的挑战，主要聚焦于能量景观在化学和物理领域的应用。
