分子动力学中的亚稳态和 Markov 状态模型：建模、分析和算法（影印版）

样章

作者：

Christof Schütte，Marco Sarich

定价：

67.00元

ISBN：

978-7-04-063251-4

版面字数：

230.00千字

开本：

16开

全书页数：

暂无

装帧形式：

精装

重点项目：

暂无

出版时间：

2025-02-14

物料号：

63251-00

读者对象：

学术著作

一级分类：

自然科学

二级分类：

数学与统计

三级分类：

动力系统

暂无

前辅文
Introduction
Chapter 1. Transfer Operator Approach to Conformation Dynamics
Chapter 2. Dynamics
- 2.1. Markov Processes and Transition Functions
- 2.2. Markov Processes in Molecular Dynamics
Chapter 3. Metastability
- 3.1. Hitting Times and Committors
- 3.2. Exit Times and Exit Rates
- 3.3. Metastable Full Partitions and Almost Invariance
- 3.4. Definitions of Metastability
Chapter 4. Transfer Operators and Generators
- 4.1. Transfer Operators in Molecular Dynamics
- 4.2. Mean Hitting Times and Committors
- 4.3. Dominant Eigenvalues
- 4.4. Spectral Approach to Metastability
- 4.5. Numerical Experiments
Chapter 5. Projected Transfer Operators
- 5.1. Galerkin Projection
- 5.2. Density Propagation Error
- 5.3. Eigenvalue Error
- 5.4. Committor Projection and Core Sets
- 5.5. Numerical Experiments
Chapter 6. Transition Path Theory
- 6.1. Reactive Trajectories
- 6.2. Illustrative Examples
Chapter 7. Concluding Remarks
Appendix A. Some Mathematical Aspects of Transfer Operators
Appendix B. Definition of Exit Rates
Bibliography