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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.
However, in quantum computing, operations have the ability to introduce phase changes to quantum states. This is the basis for complex interference patterns and quantum entanglement. When a controlled operation, such as a Controlled NOT (CNOT) gate , is applied to two qubits, the phase of the second (target) qubit is conditioned on the state of ...
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 Trajectory Theory (QTT) is a formulation of quantum mechanics used for simulating open quantum systems, quantum dissipation and single quantum systems. [1] It was developed by Howard Carmichael in the early 1990s around the same time as the similar formulation, known as the quantum jump method or Monte Carlo wave function (MCWF) method, developed by Dalibard, Castin and Mølmer. [2]
Neuromorphic quantum computing (abbreviated as ‘n.quantum computing’) is an unconventional computing type of computing that uses neuromorphic computing to perform quantum operations. It was suggested that quantum algorithms, which are algorithms that run on a realistic model of quantum computation, can be computed equally efficiently with ...
Quantum finance is an interdisciplinary research field, applying theories and methods developed by quantum physicists and economists in order to solve problems in finance. It is a branch of econophysics .
Mulliken charges arise from the Mulliken population analysis [1] [2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR [3]) procedures. [4]