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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 ]
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 .
This article lists the companies worldwide engaged in the development of quantum computing, quantum communication and quantum sensing. Quantum computing and communication are two sub-fields of quantum information science , which describes and theorizes information science in terms of quantum physics .
The software contains a set of interactive instruments that allows the user to design nanosystems, to set up and execute numerical calculations, and to visualize the results. Samples such as molecules , nanotubes , crystalline systems , and two-probe systems (i.e. a nanostructure coupled to two electrodes) are built with a few mouse clicks.
Microsoft Azure Quantum is a public cloud-based quantum computing platform developed by Microsoft, that offers quantum hardware, software, and solutions for developers to build quantum applications. [ 1 ] [ 2 ] It supports variety of quantum hardware architectures from partners including Quantinuum , IonQ , and Atom Computing. [ 3 ]
With quantum processor based systems, quantum programming languages help express quantum algorithms using high-level constructs. [1] The field is deeply rooted in the open-source philosophy and as a result most of the quantum software discussed in this article is freely available as open-source software. [2]
In June, the company announced the release of Forest 1.0, a quantum computing platform designed to enable developers to create quantum algorithms. [2] This was a major milestone. In October 2021, Rigetti announced plans to go public via a SPAC merger , with estimated valuation of around US$1.5 billion.
Dirac is one of the most successful general-purpose quantum chemistry packages that provides accurate description of relativistic effects in molecules, using the Dirac equation as its starting point. [1] The program is available in source code form, at no cost, to the academic community.