SSAIMS—Stochastic-Selection <i>Ab Initio</i> Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics
Basile F. E. Curchod, William J. Glover, Todd J. Martı́nez
Abstract
multiple spawning.
Topics & Concepts
Ab initioStatistical physicsBasis (linear algebra)TrajectoryAb initio quantum chemistry methodsCoherence (philosophical gambling strategy)Selection (genetic algorithm)PhysicsExcited stateSimple (philosophy)Coupling (piping)Basis functionComputer scienceQuantum mechanicsMathematicsMoleculeMaterials scienceGeometryEpistemologyArtificial intelligencePhilosophyMetallurgySpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesPhotochemistry and Electron Transfer Studies