Search Results for "quantum python" - Page 3
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Showing 88 open source projects for "quantum python"
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QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator of... -
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Teach Me Quantum
Practical Course on Quantum Information Science and Quantum Computing
A university-level course on Quantum Computing and Quantum Information Science that incorporates IBM Q Experience and Qiskit. This course is adequate for general audiences without prior knowledge on Quantum Mechanics and Quantum Computing (see prior knowledge), has an estimated average duration of 10 weeks at 3h/week (see duration), and is meant to be the entrypoint into the Quantum World. -
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published... -
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Quantum Honeycomp
Interactive program to calculate electronic properties in graphene
Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example... -
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Qutranpy
Interactive electronic quantum transport
Interactive program to perform quantum transport calculations by means of the Landauer and scattering matrix formalism, in a two terminal geometry. The Hamiltonians of leads and scattering region can be modified, adding exchange fields, mass, spin-orbit coupling or superconductivity. -
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Inelastica
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php. -
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PyQuante (Python Quantum Chemistry) is an open-source package for quantum chemistry programming written in Python, Numerical Python, and C.
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pyLuminous
python modules for modelling some optical systems.
This project is a collection of python modules for modelling various optical systems. It presently consists of pyFresnel and pyQW. pyFresnel models optical properties of dielectric layers and includes a thin film model (unlike the many other codes out there this can also handle uniaxial layers as long as the optical axis is aligned with the stack growth direction). pyQW models very simple (n-doped) quantum well structures and their intersubband transitions. -
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WavePacket
Dynamics of quantum systems, controlled by external fields
...With its visualization of quantum dynamics generated 'on the fly', WavePacket is suitable for teaching quantum mechanics as well as for research projects, see also the numerous demonstration examples . While the Matlab/Octave version is already in a mature state, the C++/Python version is still under construction. Using tensor train techniques, the additional WaveTrain package aims at beating the curse of dimensionality. -
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ilqg-tinnitology
Independent Loop Quantum Gravity in Clinical Tinnitology.
iaaaat & iLQG Tech. Group : http://iaaaat.3eeweb.com/ http://ilqg-tinnitology.eu.pn/ http://www.flickr.com/people/ilqg-tinnitology/ http://www.flickr.com/photos/ilqg-tinnitology/ https://sourceforge.net/projects/ilqg-tinnitology/ http://ilqg-tinnitology.comuf.com/ FTP : ftp://ftp.iaaaat.3eeweb.com Twitter : http://twitter.com/iaaaat medico/robotics : http://patentscope.wipo.int/search/en/WO2002096154 Phone 1 (Europe) : +45 91664237. phone 2 (Europe) : +45... -
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tinnitology
The designer, developer, maintainer, distributor and Python 3-programm
.... : Microsoft : http://iaaaat.3eeweb.com/iaaaat2.zip 3.0 MB (3125142 bytes). UNIX/Linux : http://iaaaat.3eeweb.com/iaaaat.tar.gz 3.0 MB (3128390 bytes). The designer, developer, maintainer, distributor and Python 3-programmer of the API (application programming interface) and Framework for clinical Tinnitology and Epigenetical mechanics. Links : International Loop Quantum Gravity Seminar. A New Look At The Path Integral Of Quantum Mechanics (Edward Witten) : https://www.youtube.com/watch?v=pOz6e5rmnjQ -
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PyVCI
Vibrational configuration interaction code for simulating IR spectra
The PyVCI program package is a general purpose open-source code for simulating accurate molecular spectra, based upon force field expansions of the potential energy surface in normal mode coordinates. It includes harmonic normal coordinate analysis and vibrational configuration interaction (VCI) algorithms, implemented primarily in Python for accessibility but with time-consuming routines written in C. Coriolis coupling terms may be optionally included in the vibrational Hamiltonian. Quartic force fields are obtained from the PyPES library of high quality analytical potential energy surfaces (http://sourceforge.net/projects/pypes-lib) or by numerical differentiation of analytic second derivatives generated using the GAMESS quantum chemical program package (http://www.msg.ameslab.gov/gamess/). -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
...If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/ -
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Python library to perform electronic structure calculations with tight binding models in different types of lattices and different dimensionalities. It allows to include different terms in the Hamiltonian as sublattice, exchange field or magnetic field. Provides functions to calculate different Green functions, band structure, density of states, transport using Landauer formula, topological invariants, etc.
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STARucn
Monte-Carlo simulation for ultra-cold neutrons
STARucn (Simulation of Transmission, Absorption and Reflection of ultracold neutrons) is a Monte-Carlo software designed to simulate experimental setups and guides for ultra cold neutrons. It relies heavily on CERN's ROOT packages. Developing team : Benoit Clément, LPSC/UJF Damien Roulier, ILL/UJF -
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graphene-like-ribbons
Calculate electronic properties of graphene-like nanoribbons
User friendly interface for calculating electronic properties in graphene-like ribbons. The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp -
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The CCP1GUI
An extensible GUI for computational chemistry codes
The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes. -
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A programmable signal generator and RF synthesizer for scientific experiments, especially quantum computing and quantum information processing. It includes hardware, firmware, software, and documentation, all under an open source license.
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GHydraulics
Create EPANET models in QGIS
Open Source Hydraulic Network Analysis Software. A plug-in for Quantum GIS (QGIS) that allows you to create EPANET hydraulic analysis models. EPANET is a popular open source software to analyze water supply networks. -
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Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.
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OpenStack-Installer-Debian7
Script-based semi-automated OpenStack Installer for Debian7
This is a bash-script based, totally controllable, semi-automated installer for OpenStack (grizzly) on Centos 6 operating systems. Spanish languaje based (for now). This is part of "OpenStack Venezuela" group: https://plus.google.com/communities/118105990522935078913 http://www.openstack.org.ve/ -
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OpenStack-Installer-Centos6
Script-based semi-automated OpenStack Installer for Centos6
This is a bash-script based, totally controllable, semi-automated installer for OpenStack (grizzly) on Centos 6 operating systems. Spanish languaje based (for now). This is part of "OpenStack Venezuela" group: https://plus.google.com/communities/118105990522935078913 http://www.openstack.org.ve/ -
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OpenSQUID
Superconducting QUantum Interference Devices (SQUIDs) control software
OpenSQUID is a Python framework for the control of SQUID (superconducting quantum interference device) readout electronics. It currently supports the Star Cryoelectronics PCI-1000 electronics with PFL-100 and PFL-102 flux-locked loops. Simultaneous operation of both PFL-100s and PFL-102s from a single PCI-1000 is supported. More features are under development.
