quantum-classical molecular dynamics method
1Molecular 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… …
2Quantum 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 …
3Classical fluids — Classical fluids[1] are systems of particles which retain a definite volume, and are at sufficiently high temperatures (compared to their Fermi Energy) that quantum effects can be neglected. A system of hard spheres, interacting only by hard… …
4Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li …
5Classical mechanics — This article is about the physics sub field. For the book written by Herbert Goldstein and others, see Classical Mechanics (book). Classical mechanics …
6Quantum 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 =… …
7Quantum 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… …
8Monte Carlo method — Not to be confused with Monte Carlo algorithm. Computational physics …
9Dissipative 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 …
10Fluid dynamics — Continuum mechanics …
