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Transition path sampling (TPS) is a Rare Event Sampling method used in computer simulations of rare events: physical or chemical transitions of a system from one stable state to another that occur too rarely to be observed on a computer timescale. Examples include protein folding, chemical reactions and nucleation. Standard simulation tools such as molecular dynamics can generate the dynamical trajectories of all the atoms in the system. However, because of the gap in accessible time-scales between simulation and reality, even present supercomputers might require years of simulations to show an event that occurs once per microsecond without some kind of acceleration.

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rdf:type	software yago:WikicatMonteCarloMethods yago:Ability105616246 yago:Abstraction100002137 yago:Cognition100023271 yago:Know-how105616786 yago:Method105660268 yago:PsychologicalFeature100023100
rdfs:label	Transition path sampling (en)
rdfs:comment	Transition path sampling (TPS) is a Rare Event Sampling method used in computer simulations of rare events: physical or chemical transitions of a system from one stable state to another that occur too rarely to be observed on a computer timescale. Examples include protein folding, chemical reactions and nucleation. Standard simulation tools such as molecular dynamics can generate the dynamical trajectories of all the atoms in the system. However, because of the gap in accessible time-scales between simulation and reality, even present supercomputers might require years of simulations to show an event that occurs once per microsecond without some kind of acceleration. (en)
dcterms:subject	Monte Carlo methods Computational chemistry Theoretical chemistry Molecular dynamics
Wikipage page ID	21779600 (xsd:integer)
Wikipage revision ID	1111803585 (xsd:integer)
Link from a Wikipage to another Wikipage	Non-equilibrium Monte Carlo methods Nucleation Stochastic process rare event sampling Chemical reaction Umbrella sampling GROMACS Monte Carlo method Stationary process Computer simulation Phase space Transition state theory CP2K Molecular dynamics Protein folding Rare Event Sampling Computational chemistry Theoretical chemistry Molecular dynamics LAMMPS OpenMP Rate constant
Link from a Wikipage to an external page	http://www.berrymanscience.com/downloads.html http://dare.uva.nl/record/149505 http://www.pyretis.org
sameAs	Transition path sampling Transition path sampling Transition path sampling Transition path sampling
dbp:wikiPageUsesTemplate	dbt:Cite_book dbt:Cite_journal dbt:Cite_thesis dbt:Reflist
has abstract	Transition path sampling (TPS) is a Rare Event Sampling method used in computer simulations of rare events: physical or chemical transitions of a system from one stable state to another that occur too rarely to be observed on a computer timescale. Examples include protein folding, chemical reactions and nucleation. Standard simulation tools such as molecular dynamics can generate the dynamical trajectories of all the atoms in the system. However, because of the gap in accessible time-scales between simulation and reality, even present supercomputers might require years of simulations to show an event that occurs once per microsecond without some kind of acceleration. (en)
gold:hypernym	Method
prov:wasDerivedFrom	wikipedia-en:Transition_path_sampling?oldid=1111803585&ns=0
page length (characters) of wiki page	10827 (xsd:nonNegativeInteger)
foaf:isPrimaryTopicOf	wikipedia-en:Transition_path_sampling
is Link from a Wikipage to another Wikipage of	List of numerical analysis topics Gavin E. Crooks Umbrella sampling TPS Martin Hairer Rare event sampling
is Wikipage disambiguates of	TPS
is foaf:primaryTopic of	wikipedia-en:Transition_path_sampling

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