## Molecular Kinetics in Condensed Phases: Theory, Simulation, and Analysis
The book’s exploration of simulations examines atomically detailed modelling of molecules in action and the connections of these simulations to theory and experiment. The authors also explore the applications that range from simple intuitive examples of one- and two-dimensional systems to complex solvated macromolecules. This important book: - Offers an introduction to the topic that combines theory, simulation and analysis
- Presents a guide written by authors that are well-known and highly regarded leaders in their fields
- Contains detailed examples and explanation of how to conduct computer simulations of kinetics. A detailed study of a two-dimensional system and of a solvated peptide are discussed.
- Discusses modern developments in the field and explains their connection to the more traditional concepts in chemical dynamics
Written for students and academic researchers in the fields of chemical kinetics, chemistry, computational statistical mechanics, biophysics and computational biology, |

### What people are saying - Write a review

### Contents

The Langevin Equation and Stochastic Processes | 1 |

Escape from a Potential Well in the Case of Dynamics | 10 |

The Master Equation as a Model for Transitions Between | 14 |

The FokkerPlanck Equation | 29 |

Path Integrals | 63 |

Barrier Crossing | 69 |

Definition | 117 |

ZwanzigCaldeigaLeggett Model for LowDimensional | 133 |

Diffusive Dynamics on a Multidimensional Energy | 157 |

k References 171 | 171 |

Direct Calculation of Rate Coefficients with Computer | 213 |

A Simple Numerical Example of Rate Calculations | 223 |

Rare Events and Reaction Coordinates | 233 |

Celling | 241 |

Alanine Dipeptide | 255 |