Search results
Results from the WOW.Com Content Network
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.
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.
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
Visualize and edit biomolecules, extract bound ligands from PDB files for further computational analysis, full molecular mechanics and quantum chemical calculations package with streamlined graphical user interface. UCSF Chimera: XRD SMI EM MD: Free open-source [25] for noncommercial use [26] Python [27] [28] [self-published source?]
This is a list of notable computer programs that are used to model nanostructures at the levels of classical mechanics [1] and quantum mechanics. Furiousatoms [2] - a powerful software for molecular modelling and visualization; Aionics.io [3] - a powerful platform for nanoscale modelling; Ascalaph Designer; Atomistix ToolKit and Virtual NanoLab ...
With quantum processor based systems, quantum programming languages help express quantum algorithms using high-level constructs. [1] 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]
Furthermore, quantum algorithms can be used to analyze quantum states instead of classical data. [16] [17] Beyond quantum computing, the term "quantum machine learning" is also associated with classical machine learning methods applied to data generated from quantum experiments (i.e. machine learning of quantum systems), such as learning the ...