Molecular Dynamics simulations
Daan Frenkel, Berend Smit
Topics & Concepts
Verlet integrationDiscretizationRotation formalisms in three dimensionsInitializationSimple (philosophy)Computer scienceFormalism (music)Equations of motionApplied mathematicsAlgorithmMolecular dynamicsClassical mechanicsMathematicsPhysicsMathematical analysisGeometryQuantum mechanicsArtPhilosophyProgramming languageVisual artsEpistemologyMusicalProtein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesQuantum, superfluid, helium dynamics