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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.
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 .
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.
The company is an offshoot of the co-founders’ 25 years of academic research in quantum information science. [2] Monroe's quantum computing research began as a Staff Researcher at the National Institute of Standards and Technology (NIST) with Nobel-laureate physicist David Wineland [4] where he led a team using trapped ions to produce the ...
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] Quantum computers, such as those based on the KLM protocol, a linear optical quantum computing (LOQC) model, use quantum algorithms (circuits) implemented with ...
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.
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.
The development of ACES II began in early 1990 in the group of Professor Rodney J. Bartlett at the Quantum Theory Project (QTP) of the University of Florida in Gainesville. There, the need for more efficient codes had been realized and the idea of writing an entirely new program package emerged.