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Another class of machine-learned interatomic potential is the Gaussian approximation potential (GAP), [87] [88] [89] which combines compact descriptors of local atomic environments [90] with Gaussian process regression [91] to machine learn the potential energy surface of a given system.
Potential energy is the energy by virtue of an object's position relative to other objects. [6] Potential energy is often associated with restoring forces such as a spring or the force of gravity. The action of stretching a spring or lifting a mass is performed by an external force that works against the force field of the potential.
The gravitational potential (V) at a location is the gravitational potential energy (U) at that location per unit mass: =, where m is the mass of the object. Potential energy is equal (in magnitude, but negative) to the work done by the gravitational field moving a body to its given position in space from infinity.
The pseudopotential is an attempt to replace the complicated effects of the motion of the core (i.e. non-valence) electrons of an atom and its nucleus with an effective potential, or pseudopotential, so that the Schrödinger equation contains a modified effective potential term instead of the Coulombic potential term for core electrons normally found in the Schrödinger equation.
For example, the working fluid in a steam engine sitting on top of Mount Everest has higher total energy due to gravity than it has at the bottom of the Mariana Trench, but the same thermodynamic potentials. This is because the gravitational potential energy belongs to the total energy rather than to thermodynamic potentials such as internal ...
In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied.
The gravitational potential energy is the potential energy an object has because it is within a gravitational field. The magnitude & direction of gravitational force experienced by a point mass m {\displaystyle m} , due to the presence of another point mass M {\displaystyle M} at a distance r {\displaystyle r} , is given by Newton's law of ...
A potential energy surface (PES) or energy landscape describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms. The surface might define the energy as a function of one or more coordinates; if there is only one coordinate, the surface is called a potential energy ...