Transition path sampling

Known as: TPS 
Transition path sampling (TPS) is a Rare Event Sampling method used in computer simulations of rare events: physical or chemical transitions of a… (More)
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Computational chemistry
Computer simulationMolecular dynamicsMonte Carlo methodOpenMP
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Papers overview

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Review
2008
Review
2008
TRANSITION PATH SAMPLING AND OTHER ADVANCED SIMULATION TECHNIQUES FOR RARE EVENTS
Computer simulations of molecular processes such as nucleation in first order phase transitions or the folding of a protein are… (More)
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Review
2007
Review
2007
Transition Path Sampling Simulations of Biological Systems
Transition path sampling is a computational method for the simulation of rare but important events occurring in complex systems… (More)
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2006
2006
1 Transition Path Sampling and the Calculation of Free Energies
Many interesting physical, chemical and biological processes occur on time scales that exceed those accessible by molecular… (More)
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Review
2005
Review
2005
Chapter 1 Transition Path Sampling Methods
Transition path sampling, based on a statistical mechanics in trajectory space, is a set of computational methods for the… (More)
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Highly Cited
2003
Highly Cited
2003
Transition-path sampling of-hairpin folding
We examine the dynamical folding pathways of the C-terminal -hairpin of protein G-B1 in explicit solvent at room temperature by… (More)
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Review
2002
Review
2002
Bridging the Time Scale Gap with Transition Path Sampling
Transition path sampling is a methodology which overcomes both the long timescale problem and the lack of prior knowledge about… (More)
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2000
2000
Transition path sampling of cavitation between molecular scale solvophobic surfaces
The dynamics of a cavitation transition between repulsive plates in a Lennard-Jones system is studied using transition path… (More)
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2000
2000
Transition path sampling : throwing ropes over mountains in the dark
Understanding rare transitions occurring in complex systems, for instance chemical reactions in solution, poses the problem of… (More)
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Highly Cited
1998
Highly Cited
1998
Transition path sampling and the calculation of rate constants
We have developed a method to study transition pathways for rare events in complex systems. The method can be used to determine… (More)
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1998
1998
Efficient transition path sampling : Application to Lennard-Jones cluster rearrangements
We develop an efficient Monte-Carlo algorithm to sample an ensemble of stochastic transition paths between stable states. In our… (More)
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