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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.
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.
Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods
Modular PDF software. Solid Converter PDF: Proprietary: Yes Yes Yes PDF to Word, Excel, HTML and Text; supports passwords, text editing, and batch conversion. SWFTools: GNU GPL: Yes Yes Yes Yes SWF conversion and manipulation suite containing a standalone PDF to SWF converter along with a Python gfx API (requires Xpdf).
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.
Quantum ESPRESSO is an open initiative of the CNR-IOM DEMOCRITOS National Simulation Center in Trieste and its partners, in collaboration with different centers worldwide such as MIT, Princeton University, the University of Minnesota and the École Polytechnique Fédérale de Lausanne. The project is coordinated by the QUANTUM ESPRESSO ...
Advocates of quantum healing assert that quantum phenomena govern health and wellbeing. There are different versions, which allude to various quantum ideas including wave particle duality and virtual particles, and more generally to "energy" and to vibrations. [1] Quantum healing is a form of alternative medicine.
Microsoft Azure Quantum is a public cloud-based quantum computing platform developed by Microsoft, that offers quantum hardware, software, and solutions for developers to build quantum applications. [ 1 ] [ 2 ] It supports variety of quantum hardware architectures from partners including Quantinuum , IonQ , and Atom Computing. [ 3 ]
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