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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… 
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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… 
Highly Cited
2016
Highly Cited
2016
The recent discovery of frustrated Lewis pairs (FLPs) capable of heterolytically splitting hydrogen gas at the surface of… 
2016
2016
Zeolites are the workhorses of today's chemical industry. For decades they have been successfully applied, however many features… 
Review
2013
Review
2013
We review a selection of methods for performing enhanced sampling in 1 molecular dynamics simulations. We consider methods based… 
Highly Cited
2013
Highly Cited
2013
Highly Cited
2012
Highly Cited
2012
Metadynamics is an algorithm for accelerating rare events and reconstructing the associated free energy surface. It works by… 
Highly Cited
2012
Highly Cited
2012
National Science Foundation (U.S.). Division of Civil and Mechanical Systems (Grant 0856325) 
Highly Cited
2009
Highly Cited
2009
Review
2009
Review
2009
Computer simulations of molecular processes such as nucleation in first-order phase transitions or the folding of a protein are…