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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)


作者:
Christof Schütte,Marco Sarich
定价:
67.00 元
版面字数:
230千字
开本:
16开
装帧形式:
精装
版次:
1
最新版次
印刷时间:
2025年
ISBN:
978-7-04-063251-4
物料号:
63251-00
出版时间:
2025-02-14
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

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  • 目录
    • 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

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