quantum-classical molecular dynamics method

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• Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

• Quantum chemistry — is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one …   Wikipedia

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• Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li …   Wikipedia

• Classical mechanics — This article is about the physics sub field. For the book written by Herbert Goldstein and others, see Classical Mechanics (book). Classical mechanics …   Wikipedia

• Quantum Zeno effect — The quantum Zeno effect is a name coined by George Sudarshan and Baidyanaith Misra of the University of Texas in 1977 in their analysis of the situation in which an unstable particle, if observed continuously, will never decay.Citation | last =… …   Wikipedia

• Quantum thermodynamics — In the physical sciences, quantum thermodynamics is the study of heat and work dynamics in quantum systems. Approximately, quantum thermodynamics attempts to combine thermodynamics and quantum mechanics into a coherent whole. The essential point… …   Wikipedia

• Monte Carlo method — Not to be confused with Monte Carlo algorithm. Computational physics …   Wikipedia

• Dissipative particle dynamics — (DPD) is a stochastic simulation technique for simulating the dynamic and rheological properties of simple and complex fluids. It was initially devised by Hoogerbrugge and Koelman [1][2] to avoid the lattice artifacts of the so called lattice gas …   Wikipedia

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• Introduction to quantum mechanics — This article is an accessible, non technical introduction to the subject. For the main encyclopedia article, see Quantum mechanics. Quantum mechanics …   Wikipedia