Search results
Results from the WOW.Com Content Network
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]
Quantum ESPRESSO is an open initiative of the CNR-IOM DEMOCRITOS National Simulation Center in Trieste and its partners, in collaboration with different centers worldwide such as MIT, Princeton University, the University of Minnesota and the École Polytechnique Fédérale de Lausanne. The project is coordinated by the QUANTUM ESPRESSO ...
Quil is being developed for the superconducting quantum processors developed by Rigetti Computing through the Forest quantum programming API. [5] [6] A Python library called pyQuil was introduced to develop Quil programs with higher level constructs. A Quil backend is also supported by other quantum programming environments. [7] [8]
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and its computer program implementation, to efficiently perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
CP2K is a freely available quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
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 ...
The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations. It is a generalization of the pseudopotential and linear augmented-plane-wave methods, and allows for density functional theory calculations to be performed with greater computational efficiency.
Quantum Trajectory Theory (QTT) is a formulation of quantum mechanics used for simulating open quantum systems, quantum dissipation and single quantum systems. [1] It was developed by Howard Carmichael in the early 1990s around the same time as the similar formulation, known as the quantum jump method or Monte Carlo wave function (MCWF) method, developed by Dalibard, Castin and Mølmer. [2]