Kingshuk Ghosh, Purushottam D Dixit, Luca Agozzino, Ken A Dill
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引用次数: 42
Abstract
Ever since Clausius in 1865 and Boltzmann in 1877, the concepts of entropy and of its maximization have been the foundations for predicting how material equilibria derive from microscopic properties. But, despite much work, there has been no equally satisfactory general variational principle for nonequilibrium situations. However, in 1980, a new avenue was opened by E.T. Jaynes and by Shore and Johnson. We review here maximum caliber, which is a maximum-entropy-like principle that can infer distributions of flows over pathways, given dynamical constraints. This approach is providing new insights, particularly into few-particle complex systems, such as gene circuits, protein conformational reaction coordinates, network traffic, bird flocking, cell motility, and neuronal firing.
自1865年克劳修斯和1877年玻尔兹曼以来,熵及其最大化的概念一直是预测物质平衡如何从微观性质推导出来的基础。但是,尽管做了大量的工作,对于非平衡情况还没有同样令人满意的一般变分原理。然而,在1980年,E.T. Jaynes和Shore and Johnson开辟了一条新的大道。我们在这里回顾最大口径,这是一个最大熵原理,可以推断路径上的流量分布,给定动态约束。这种方法提供了新的见解,特别是对少粒子复杂系统,如基因电路,蛋白质构象反应坐标,网络流量,鸟群,细胞运动和神经元放电。
期刊介绍:
The Annual Review of Physical Chemistry has been published since 1950 and is a comprehensive resource for significant advancements in the field. It encompasses various sub-disciplines such as biophysical chemistry, chemical kinetics, colloids, electrochemistry, geochemistry and cosmochemistry, chemistry of the atmosphere and climate, laser chemistry and ultrafast processes, the liquid state, magnetic resonance, physical organic chemistry, polymers and macromolecules, and others.