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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.
Qiskit is made of elements that work together to enable quantum computing. The central goal of Qiskit is to build a software stack that makes it easier for anyone to use quantum computers, regardless of their skill level or area of interest; Qiskit allows users to design experiments and applications and run them on real quantum computers and/or classical simulators.
VASP is currently being developed by Georg Kresse; recent additions include the extension of methods frequently used in molecular quantum chemistry to periodic systems. VASP is currently used by more than 1400 research groups in academia and industry worldwide on the basis of software licence agreements with the University of Vienna.
PQS is a general purpose quantum chemistry program. Its roots go back to the first ab initio gradient program developed in Professor Peter Pulay's group but now it is developed and distributed commercially by Parallel Quantum Solutions. There is a reduction in cost for academic users and a site license.
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 ]
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 project is coordinated by the QUANTUM ESPRESSO foundation, which was formed by many research centers and groups all over the world. The first version, called pw.1.0.0, was released on 15-06-2001. The program is written mainly in Fortran-90 with some parts in C or in Fortran-77. It is composed of a set of core components, a set of plug-ins ...
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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