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The Vienna Ab initio Simulation Package, better known as VASP, is a package written primarily in Fortran for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set. [2]
The Gaussian and Augmented Plane Waves method (GAPW) as an extension of the GPW method allows for all-electron calculations. CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method.
For combinatorial optimization, the quantum approximate optimization algorithm (QAOA) [6] briefly had a better approximation ratio than any known polynomial time classical algorithm (for a certain problem), [7] until a more effective classical algorithm was proposed. [8] The relative speed-up of the quantum algorithm is an open research question.
Quantum lambda calculi are extensions of the classical lambda calculus introduced by Alonzo Church and Stephen Cole Kleene in the 1930s. The purpose of quantum lambda calculi is to extend quantum programming languages with a theory of higher-order functions. The first attempt to define a quantum lambda calculus was made by Philip Maymin in 1996 ...
Quantum ESPRESSO (Quantum Open-Source Package for Research in Electronic Structure, Simulation, and Optimization; QE) [2] [3] is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License.
The phase-space formulation is a formulation of quantum mechanics that places the position and momentum variables on equal footing in phase space.The two key features of the phase-space formulation are that the quantum state is described by a quasiprobability distribution (instead of a wave function, state vector, or density matrix) and operator multiplication is replaced by a star product.
A metric graph embedded in the plane with three open edges. The dashed line denotes the metric distance between two points and .. A metric graph is a graph consisting of a set of vertices and a set of edges where each edge = (,) has been associated with an interval [,] so that is the coordinate on the interval, the vertex corresponds to = and to = or vice versa.
Forms Data Format is defined in the PDF specification (since PDF 1.2). The Forms Data Format can be used when submitting form data to a server, receiving the response, and incorporating it into the interactive form. It can also be used to export form data to stand-alone files that can be imported back into the corresponding PDF interactive form.