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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.
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]
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
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 ...
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Dirac (named after Paul Dirac; own notation DIRAC) is a relativistic ab initio quantum chemistry program. The full name is Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations, in short PAM DIRAC.
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The Sinclair QL (for Quantum Leap) is a personal computer launched by Sinclair Research in 1984, as an upper-end counterpart to the ZX Spectrum. [3] [4] [5]The QL was the last desktop microcomputer aimed at the serious home user and professional and executive users markets from small to medium-sized businesses and higher educational establishments, but failed to achieve commercial success.