Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Relativistic quantum mechanicsIn physics, relativistic quantum mechanics (RQM) is any Poincaré covariant formulation of quantum mechanics (QM). This theory is applicable to massive particles propagating at all velocities up to those comparable to the speed of light c, and can accommodate massless particles. The theory has application in high energy physics, particle physics and accelerator physics, as well as atomic physics, chemistry and condensed matter physics.
Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
Relativistic wave equationsIn physics, specifically relativistic quantum mechanics (RQM) and its applications to particle physics, relativistic wave equations predict the behavior of particles at high energies and velocities comparable to the speed of light. In the context of quantum field theory (QFT), the equations determine the dynamics of quantum fields. The solutions to the equations, universally denoted as ψ or Ψ (Greek psi), are referred to as "wave functions" in the context of RQM, and "fields" in the context of QFT.
Hydrodynamic quantum analogsIn physics, the hydrodynamic quantum analogs refer to experimentally-observed phenomena involving bouncing fluid droplets over a vibrating fluid bath that behave analogously to several quantum-mechanical systems. A droplet can be made to bounce indefinitely in a stationary position on a vibrating fluid surface. This is possible due to a pervading air layer that prevents the drop from coalescing into the bath.
De Broglie–Bohm theoryThe de Broglie–Bohm theory, also known as the pilot wave theory, Bohmian mechanics, Bohm's interpretation, and the causal interpretation, is an interpretation of quantum mechanics. In addition to the wavefunction, it also postulates an actual configuration of particles exists even when unobserved. The evolution over time of the configuration of all particles is defined by a guiding equation. The evolution of the wave function over time is given by the Schrödinger equation.
Quantum potentialThe quantum potential or quantum potentiality is a central concept of the de Broglie–Bohm formulation of quantum mechanics, introduced by David Bohm in 1952. Initially presented under the name quantum-mechanical potential, subsequently quantum potential, it was later elaborated upon by Bohm and Basil Hiley in its interpretation as an information potential which acts on a quantum particle. It is also referred to as quantum potential energy, Bohm potential, quantum Bohm potential or Bohm quantum potential.
Vibronic couplingVibronic coupling (also called nonadiabatic coupling or derivative coupling) in a molecule involves the interaction between electronic and nuclear vibrational motion. The term "vibronic" originates from the combination of the terms "vibrational" and "electronic", denoting the idea that in a molecule, vibrational and electronic interactions are interrelated and influence each other. The magnitude of vibronic coupling reflects the degree of such interrelation.
Mathematical formulation of quantum mechanicsThe mathematical formulations of quantum mechanics are those mathematical formalisms that permit a rigorous description of quantum mechanics. This mathematical formalism uses mainly a part of functional analysis, especially Hilbert spaces, which are a kind of linear space. Such are distinguished from mathematical formalisms for physics theories developed prior to the early 1900s by the use of abstract mathematical structures, such as infinite-dimensional Hilbert spaces (L2 space mainly), and operators on these spaces.
Quantum informationQuantum information is the information of the state of a quantum system. It is the basic entity of study in quantum information theory, and can be manipulated using quantum information processing techniques. Quantum information refers to both the technical definition in terms of Von Neumann entropy and the general computational term. It is an interdisciplinary field that involves quantum mechanics, computer science, information theory, philosophy and cryptography among other fields.
