期刊
ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 3
卷 3, 期 -, 页码 369-394出版社
ANNUAL REVIEWS
DOI: 10.1146/annurev-chembioeng-062011-081032
关键词
uniform sampling; metadynamics; flat histogram; flux maximization
资金
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1121288] Funding Source: National Science Foundation
One of the central problems in statistical mechanics is that of finding the density of states of a system. Knowledge of the density of states of a system is equivalent to knowledge of its fundamental equation, from which all thermodynamic quantities can be obtained. Over the past several years molecular simulations have made considerable strides in their ability to determine the density of states of complex fluids and materials. In this review we discuss some of the more promising approaches proposed in the recent literature along with their advantages and limitations.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据