Search Results for "quantum mechanics"
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Showing 33 open source projects for "quantum mechanics"
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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... -
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QuTiP
QuTiP: Quantum Toolbox in Python
... circuits, and quantum nanomechanical resonators. QuTiP is freely available for use and/or modification on all major platforms such as Linux, Mac OSX, and Windows*. Being free of any licensing fees, QuTiP is ideal for exploring quantum mechanics and dynamics in the classroom. -
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Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
...", J. Chem. Theory Comput. 11 (2015), 2517-2524 L.C.Kröger, W.A.Kopp, M.Döntgen, K.Leonhard, "Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 13 (2017), 3955-3960 M.Döntgen, F.Schmalz, W.A.Kopp, L.C.Kröger, K.Leonhard, "Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations", J. Chem. Inf. Model. 58 (2018), 1343-1355 Check the Wiki for bug reports and fixes. -
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eprb_signal_correlations
Simulation of a two-channel Bell test, with closed-form proofs
Derivation, entirely by probability theory, of the correlation coefficient for a two-channel Bell test, with simulation in Ada and other languages. The Nobel Committe for Physics bans this program for subversive content. (Mirror of the repository at https://github.com/chemoelectric/eprb_signal_correlations) -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
... or chemistry. WavePacket is suitable for teaching quantum mechanics as well as for research projects in physics and chemistry. The present C++ version is an object-oriented rewrite of the existing Matlab version aiming to be more flexible. In particular, the goals are easy handling of open and closed systems and support for unusual setups. -
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Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
... in libraries, and we have already written many such library programs. Many of these programs are already available along with the main package. Currently, the main focus of these is computational quantum mechanics, analysis and simulation of molecular spectra, and general-purpose approximants. The package provides the most reliable modern strategies for linear and non-linear model optimization, regularization, and hypothesis tests. Parallel computing is supported. -
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WaveFunctionCollapse
Bitmap & tilemap generation from a single example
This program generates bitmaps that are locally similar to the input bitmap. WFC initializes output bitmap in a completely unobserved state, where each pixel value is in superposition of colors of the input bitmap (so if the input was black & white then the unobserved states are shown in different shades of grey). The coefficients in these superpositions are real numbers, not complex numbers, so it doesn't do the actual quantum mechanics, but it was inspired by QM. Then the program goes... -
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noteq
Framework for clinical Tinnitology and Epigenetical mechanics.
... and The Independent Loop Quantum Gravity Technology Group. The designer, developer, maintainer, distributor and Python 3-programmer of the API (application programming interface) and Framework for clinical Tinnitology and Epigenetical mechanics. 1990-2022. -
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smib is one of the smallest and simplest computer algebra system in the world, but simple does not mean simplistic. Using smib you can explore many branches of mathematics (e.g. number theory, algebra, calculus, numerical analysis, differential geometry, probability and stochastic calculus) and also some physics (e.g. electromagnetism and quantum mechanics).. By simple you can understand easy to program (smib is a dynamically typed language, with strong affinity to recursivity, programs...
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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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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... -
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qutoss
sandbox particle simulator that obeys schrödinger's equation
Enjoy bizarre Quantum Mechanics animations by throwing a 2D particle in arbitrary environments. There is infinite freedom in customizing the potentials: draw out absurd terrains, or opt for standard experiments such as double-slit. The project's purpose is to aid the user in building intuition for the peculiar workings of the quantum realm. As such, it aims to be user-friendly and does not require prior knowledge of QM. Currently only available for macOS and Windows users (Linux... -
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condensed matter laboratory
Application for quantum simulation and statistical properties
Condensed-Matter-Laboratory (CML) is an application for simulating solids and nanostructures and calculating different properties of them by density functional theory and using Green's function theory in tight-binding approximation to calculate phononic and spin dependent or independent electronic properties of different systems. Furthermore, it can be used for calculating thermodynamic properties of solids and nanostructures using statistical mechanics. The CML is a cross-platform application... -
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ilqg-tinnitology
Independent Loop Quantum Gravity in Clinical Tinnitology.
...-System ver.2.9.6. : Microsoft : http://iaaaat.3eeweb.com/iaaaat2.zip 3.0 MB (3128379 bytes). UNIX/Linux : http://iaaaat.3eeweb.com/iaaaat.tar.gz 3.0 MB (3131146 bytes). The designer, developer, maintainer, distributor and Python 3-programmer of the API (application programming interface) and Framework for clinical Tinnitology and Epigenetical mechanics. -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a program package for numerical quantum-mechanics of distinguishable particles. It can be used to 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. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses... -
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tinnitology
The designer, developer, maintainer, distributor and Python 3-programm
....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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Ascalaph Designer
Graphic molecular dynamic package.
Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models. http://www.biomolecular-modeling.com/Products.html -
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Repository moving to https://github.com/cmendl/fermifab ! A quantum physics toolbox for small fermionic systems. Keywords: quantum mechanics, reduced density matrices, Slater determinants, second quantization, creation and annihilation operators
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mARC is a novel data modeling technology rooted in the second quantization formulation of quantum mechanics. It is an all-purpose incremental and unsupervised data storage and retrieval system which can be applied to all types of signal or data, structured or unstructured, textual or not. mARC can be applied to a wide range of information clas-sification and retrieval problems like e-Discovery or contextual navigation. It can also for-mulated in the artificial life framework a.k.a Conway "Game...
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This is a general open source Quantum Mechanics/Molecular Mechanics project with academic origin. Its intention is to produce free software tools to study molecular systems through QM/MM, in open collaboration.
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OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
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Educational software for studying quantum mechanics. This is the 3rd incarnation of QUANTX software created for Physics Department of Novosibirsk State University. The first version of this software was used in 1985-1991, and the second one was in use since 1991 till 2011. This 3rd version should be useful for universities of Russia and CIS. Translation into English is underway.
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InterferenceSimulator
Demonstrates quantal two-slit Fresnel interference patterns.
InterferenceSimulator is a program demonstrating quantal two-slit Fresnel interference patterns with one, the other, or both slits open. A magnetic flux situated between the two slits allows demonstration of the Aharonov–Bohm effect. Simulations with short de Broglie wavelengths illustrate the classical limit of quantum mechanics. Because of the universality of wave phenomena, this program can also demonstrate the geometrical-optics limit of wave optics for small wavelengths. -
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libint
Libint computes molecular integrals
Libint is a software stack for computing integrals used in molecular quantum mechanics. -
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CrackThis!
Data Encrypton Software utilizing IMPACT
We developed a classic solution that reflects the very nature of quantum mechanics in whole, ultimately demonstrating the raw power of numbers. We developed a truly irreversible one way algorithm which, when applied to information, both encrypts and decrypts it. That is to say that the algorithm which encrypts the information works in the same direction as the algorithm that decrypts it. This in itself is the very nature of quantum mechanics - "forward only". Through a quantum-entanglement...
