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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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Papers overview

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Review
2020
Review
2020
Metadynamics is an atomistic simulation technique that allows, within the same framework, acceleration of rare events and… Expand
Review
2017
Review
2017
Peptoids, or poly-N-substituted glycines, are synthetic polymers composed of a protein backbone with side chains attached to the… Expand
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2016
2016
The recent discovery of frustrated Lewis pairs (FLPs) capable of heterolytically splitting hydrogen gas at the surface of… Expand
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2015
2015
A bstractAs one approaches the continuum limit, QCD systems, investigated via numerical simulations, remain trapped in sectors of… Expand
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Review
2014
Review
2014
We review a selection of methods for performing enhanced sampling in 1 molecular dynamics simulations. We consider methods based… Expand
Highly Cited
2012
Highly Cited
2012
Metadynamics is an algorithm for accelerating rare events and reconstructing the associated free energy surface. It works by… Expand
2012
2012
National Science Foundation (U.S.). Division of Civil and Mechanical Systems (Grant 0856325) 
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Highly Cited
2010
Highly Cited
2010
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
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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Review
2009
Review
2009
Computer simulations of molecular processes such as nucleation in first-order phase transitions or the folding of a protein are… Expand
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