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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 .
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 ]
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 .
IonQ's hardware is based on a trapped ion architecture, from technology that Monroe developed at the University of Maryland, and that Kim developed at Duke. [22]In November 2017, IonQ presented a paper at the IEEE International Conference on Rebooting Computing describing their technology strategy and current progress.
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.
In July 2024, PsiQuantum announced it had signed a memorandum of understanding (MOU) with five Queensland universities (The University of Queensland, Griffith University, Queensland University of Technology, University of Southern Queensland and the University of the Sunshine Coast) to develop educational programs in quantum fields and ...
Quantum engineering is evolving into its own engineering discipline. The quantum industry requires a quantum-literate workforce, a missing resource at the moment. Currently, scientists in the field of quantum technology have mostly either a physics or engineering background and have acquired their ”quantum engineering skills” by experience.
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.