Computer simulations of molecular processes such as nucleation in first-order phase transitions or the folding of a protein are often complicated by widely disparate time scales related to important but rare events. Here, we will review sev eral recently developed computational methods designed to address the rare-events problem. In doing so, we will focus on the transition path sampling methodology
Chemical reactions, mass transport in solids, protein folding, and nucleation in first-order phase t...
We briefly review simulation schemes for the investigation of rare transitions and resume the recent...
1.1 Rare Events and free energy landscapes Many interesting physical, chemical and biological proces...
A good deal of molecular dynamics simulations aims at predicting and quantifying rare events, such a...
Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy ...
Nearly 20 years ago transition path sampling (TPS) emerged as an alternative method to free energy b...
The last decade has seen a rapid growth in the number of simulation methods and applications dealing...
A good deal of molecular dynamics simulations aims at predicting and quantifying rare events, such a...
We present three algorithms for calculating rate constants and sampling transition paths for rare ev...
In the past 15 years transition path sampling (TPS) has evolved from its basic algorithm to an entir...
Chemical reactions, mass transport in solids, protein folding, and nucleation in first-order phase t...
This thesis is focused on developing advanced path sampling simulation methods to study protein fold...
Abstract This article reviews the concepts and methods of transition path sampling. These methods al...
Activated processes driven by rare fluctuations are discussed in this thesis. Understanding the dyna...
This paper reviews the transition path theory (TPT) for activated events and summarizes a set of met...
Chemical reactions, mass transport in solids, protein folding, and nucleation in first-order phase t...
We briefly review simulation schemes for the investigation of rare transitions and resume the recent...
1.1 Rare Events and free energy landscapes Many interesting physical, chemical and biological proces...
A good deal of molecular dynamics simulations aims at predicting and quantifying rare events, such a...
Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy ...
Nearly 20 years ago transition path sampling (TPS) emerged as an alternative method to free energy b...
The last decade has seen a rapid growth in the number of simulation methods and applications dealing...
A good deal of molecular dynamics simulations aims at predicting and quantifying rare events, such a...
We present three algorithms for calculating rate constants and sampling transition paths for rare ev...
In the past 15 years transition path sampling (TPS) has evolved from its basic algorithm to an entir...
Chemical reactions, mass transport in solids, protein folding, and nucleation in first-order phase t...
This thesis is focused on developing advanced path sampling simulation methods to study protein fold...
Abstract This article reviews the concepts and methods of transition path sampling. These methods al...
Activated processes driven by rare fluctuations are discussed in this thesis. Understanding the dyna...
This paper reviews the transition path theory (TPT) for activated events and summarizes a set of met...
Chemical reactions, mass transport in solids, protein folding, and nucleation in first-order phase t...
We briefly review simulation schemes for the investigation of rare transitions and resume the recent...
1.1 Rare Events and free energy landscapes Many interesting physical, chemical and biological proces...