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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… Expand
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Assisted Model Building with Energy Refinement (AMBER)CP2KComputational biologyComputational physics
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Computational chemistry

Papers overview

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2016
2016
Metadynamics surfing on topology barriers: the CPN−1 case
A bstractAs one approaches the continuum limit, QCD systems, investigated via numerical simulations, remain trapped in sectors of… Expand
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2016
2016
Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions
Zeolites are the workhorses of today's chemical industry. For decades they have been successfully applied, however many features… Expand
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2014
2014
Attractor Metadynamics in Adapting Neural Networks
Slow adaption processes, like synaptic and intrinsic plasticity, abound in the brain and shape the landscape for the neural… Expand
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2014
2014
Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow
The azo dye, sunset yellow, is a prototypical, chromonic liquid crystal in which assembly in aqueous solution at high volume… Expand
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2013
2013
Activation Free Energy of Nucleation of a Dislocation Pair in Magnesium
Kink deformation is one of the possible principal deformation modes of alloys with a long-period stacking ordered structure under… Expand
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Highly Cited
2012
Highly Cited
2012
New advances in metadynamics
Metadynamics is an algorithm for accelerating rare events and reconstructing the associated free energy surface. It works by… Expand
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2012
2012
Characterization of the intrinsic strength between epoxy and silica using a multiscale approach
National Science Foundation (U.S.). Division of Civil and Mechanical Systems (Grant 0856325) 
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Highly Cited
2010
Highly Cited
2010
Solid-liquid interface free energy through metadynamics simulations
The solid-liquid interface free energy ${\ensuremath{\gamma}}_{sl}$ is a key parameter controlling nucleation and growth during… Expand
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Highly Cited
2009
Highly Cited
2009
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be… Expand
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2006
2006
Metamimetic Games: Modeling Metadynamics in Social Cognition
Imitation is fundamental in the understanding of social system dynamics. But the diversity of imitation rules employed by… Expand
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