Search Results for "quantum python"
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Showing 18 open source projects for "quantum python"
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CUDA-Q
C++ and Python support for the CUDA Quantum programming model
CUDA-Q is an open-source platform for developing hybrid quantum-classical applications using a unified programming model across CPUs, GPUs, and quantum processing units. It provides a full toolchain that includes compilers, runtimes, and libraries for writing quantum programs in both C++ and Python. The platform is designed to be hardware-agnostic, allowing developers to run applications on different quantum backends or simulate them efficiently using GPU acceleration when physical quantum hardware is unavailable. ... -
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QPanda 2
QPanda 2 is an open source quantum computing framework
QPanda2 is an open source quantum computing framework developed by Origin Quantum, which can be used to build, run and optimize quantum algorithms. QPanda2 is the basic library of a series of software developed by Origin Quantum, which provides core components for QRunes, Qurator and quantum computing services. -
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Qulacs
Variational Quantum Circuit Simulator for Quantum Computation Research
Variational Quantum Circuit Simulator for Quantum Computation Research. Qulacs is a Python/C++ library for fast simulation of large, noisy, or parametric quantum circuits. Qulacs is developed at QunaSys, Osaka University, NTT, and Fujitsu. -
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Avogadro 2
Avogadro libraries provide 3D rendering, visualization, and analysis
AvogadroLibs is the core C++ library behind Avogadro 2, an open-source molecular editor and visualization platform used in chemistry, materials science, and education. It provides the essential tools for constructing, analyzing, and visualizing molecular structures in 2D and 3D. Designed for extensibility, AvogadroLibs supports plugins for quantum chemistry computations, molecular mechanics, and surface rendering. It interfaces with multiple chemistry formats and data sources, making it a... -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. -
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QMCF2
Quantum Mechanical Charge Field - Molecular Dynamics
QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must... -
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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :... -
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libACE
Analytic Gaussian integral kernels using the ACE algorithm.
libACE is a source generator and validation toolkit for analytic Gaussian integral kernels. It generates selected C++ feature libraries and can assemble a combined user-facing distribution with a stable C/C++ ABI. Accompanying coordinate expansion (ACE) is a computational method in quantum chemistry designed for the rapid evaluation of electron repulsion integrals (ERIs) over Gaussian-type orbitals. Developed by K. Ishida and later extended by Masao Hayami, Junji Seino, and Hiromi... -
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staq
Full-stack quantum processing toolkit
staq is a modern C++ library for the synthesis, transformation, optimization and compilation of quantum circuits. staq is written in standard C++17 and has very low external dependencies. It is usable either through the provided binary tools, or as a header-only library that can be included to provide direct support for parsing & manipulating circuits written in the OpenQASM circuit description language. Inspired by Clang, staq is designed to manipulate OpenQASM syntax trees directly, rather... -
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C++QED
A framework for simulating open quantum dynamics
C++QED is an application-programming framework for simulating open quantum dynamics in general. It has demonstrated the ability to simulate full Master equation of up to several thousand, and quantum trajectories of up to several hundred thousand dimensions. The basic idea is to allow users to build arbitrarily complex interacting quantum systems out of free subsystems and interactions (elements), and simulate their time evolution with a number of available time-evolution... -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a toolkit for numerical simulation of distinguishable particles. It can solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. External electric fields can be added within the semiclassical dipole approximation, thus WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including quantum optimal control. 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 . ... -
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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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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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QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.
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PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
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CT8K is an experimental quantum chemistry program intended to bring state of the art methods to the desktop PC
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