Search results
Results from the WOW.Com Content Network
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.
A practical quantum computer must use a physical system as a programmable quantum register. [1] Researchers are exploring several technologies as candidates for reliable qubit implementations. [2] Superconducting quantum computing [3] [4] (qubit implemented by the state of nonlinear resonant superconducting circuits containing Josephson junctions)
Dalton (named after John Dalton) is an ab initio quantum chemistry computer program suite, consisting of the Dalton and LSDalton programs. [2] The Dalton suite is capable of calculating various molecular properties using the Hartree–Fock, MP2, MCSCF and coupled cluster theories.
Qiskit (Quantum Information Software Kit) is an open-source software development kit (SDK) for working with quantum Computers at the level of circuits, pulses, and algorithms. It provides tools for creating and manipulating quantum programs and running them on prototype quantum devices on IBM Quantum Platform or on simulators on a local computer.
Since 13 May 2016, with the 4.0 version announcement, SIESTA is released under the terms of the GPL open-source license. Source packages and access to the development versions can be obtained from the DevOps platform on GitLab. [2] The latest version Siesta-4.1.5 was released on 4 February 2021.
Quantum cognition uses the mathematical formalism of quantum probability theory to model psychology phenomena when classical probability theory fails. [1] The field focuses on modeling phenomena in cognitive science that have resisted traditional techniques or where traditional models seem to have reached a barrier (e.g., human memory), [2] and modeling preferences in decision theory that seem ...
QuantumATK (formerly Atomistix ToolKit or ATK) is a commercial software for atomic-scale modeling and simulation of nanosystems. The software was originally developed by Atomistix A/S, and was later acquired by QuantumWise following the Atomistix bankruptcy. [1] QuantumWise was then acquired by Synopsys in 2017. [2]
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.