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Metadynamics

Metadynamics (MTD; also abbreviated as METAD or MetaD) is a computer simulation method in computational physics, chemistry and biology. It is used to estimate the free energy and other state functions of a system, where ergodicity is hindered by the form of the system's energy landscape. It was first suggested by Alessandro Laio and Michele Parrinello in…

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Metadynamics

Nodes76
Edges75
Triples52
Avg. degree1.97
Density0.026316
Components1

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Metadynamics

Top relations

related to High-dimensional approach · 13
Metadynamics → Also, ANN, CVs, Gaussian, It, KDE, MTD, NN2B, NNDE, So MTD, The, This, Typical
related to Developments since 2015 · 11
Metadynamics → CVs, Dama, In, Michele Parrinello's, OneOPES, OPES, PLUMED, The OPES, This, Voth, White
related to Introduction · 9
Metadynamics → Adaptive Biasing Force, At, CV, During, Engkvist-Karlström, Gaussian, Gaussians, In, The
related to Multi-replica approach · 8
Metadynamics → Hastings, Independent, Metropolis, MTD, Suwa-Todo, The, There, Typically
related to External links · 7
Metadynamics → Gromacs, Introduction, LAMMPS, NAMD, OPES, Probability Enhanced Sampling, Visual
has application · 1
Metadynamics → DNA

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Important terminology

potential mtd energy collective sampling system bias gaussian vec simulation molecular adaptive free variables method function displaystyle used landscape dynamics

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
adaptively biased molecular dynamicsinstance ofMTD closely resembles a number of newer methods0.80text
adaptive reaction coordinate forcesinstance ofMTD closely resembles a number of newer methods0.80text
local elevation umbrella samplinginstance ofMTD closely resembles a number of newer methods0.80text
Metadynamicshas applicationDNA0.60section
Metadynamicsrelated to Developments since 2015In0.60section
Metadynamicsrelated to Developments since 2015White0.60section
Metadynamicsrelated to Developments since 2015Dama0.60section
Metadynamicsrelated to Developments since 2015Voth0.60section
Metadynamicsrelated to Developments since 2015This0.60section
Metadynamicsrelated to Developments since 2015OPES0.60section
Metadynamicsrelated to Developments since 2015Michele Parrinello's0.60section
Metadynamicsrelated to Developments since 2015The OPES0.60section

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