Using metadynamics to explore complex free-energy landscapes
Giovanni Bussi, Alessandro Laio
Topics & Concepts
MetadynamicsComplex systemComputer scienceScope (computer science)Molecular dynamicsEnergy (signal processing)Statistical physicsEnergy landscapeSet (abstract data type)Artificial intelligenceChemistryMathematicsComputational chemistryPhysicsStatisticsThermodynamicsProgramming languageMachine Learning in Materials ScienceTheoretical and Computational PhysicsProtein Structure and Dynamics