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The Vienna Ab initio Simulation Package, better known as VASP, is a package written primarily in Fortran for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set. [2]
A universal quantum simulator is a quantum computer proposed by Yuri Manin in 1980 [4] and Richard Feynman in 1982. [ 5 ] A quantum system may be simulated by either a Turing machine or a quantum Turing machine , as a classical Turing machine is able to simulate a universal quantum computer (and therefore any simpler quantum simulator), meaning ...
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.
The Gaussian and Augmented Plane Waves method (GAPW) as an extension of the GPW method allows for all-electron calculations. CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method.
IBM Quantum Platform (previously known as IBM Quantum Experience) is an online platform allowing public and premium access to cloud-based quantum computing services provided by IBM. This includes access to a set of IBM's prototype quantum processors, a set of tutorials on quantum computation, and access to an interactive textbook.
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.
QuTiP, short for the Quantum Toolbox in Python, is an open-source computational physics software library for simulating quantum systems, particularly open quantum systems. [1] [2] QuTiP allows simulation of Hamiltonians with arbitrary time-dependence, allowing simulation of situations of interest in quantum optics, ion trapping, superconducting circuits and quantum nanomechanical resonators.
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.