Computing the committor with the committor to study the transition state ensemble
Pei‐Lin Kang, Enrico Trizio, Michele Parrinello
Topics & Concepts
Statistical physicsMetastabilityDegrees of freedom (physics and chemistry)State (computer science)Function (biology)Rare eventsRanking (information retrieval)Interpretation (philosophy)Computer sciencePhysicsMathematicsAlgorithmQuantum mechanicsArtificial intelligenceStatisticsEvolutionary biologyProgramming languageBiologyProtein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesMachine Learning in Materials Science