Search Results for "quantum mechanics"
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Showing 34 open source projects for "quantum mechanics"
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QuTiP
QuTiP: Quantum Toolbox in Python
...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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Avogadro 2
Avogadro libraries provide 3D rendering, visualization, and analysis
...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 versatile backbone for scientific applications and custom visualization tools. -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
...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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Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1 M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics...">
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Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
...Elementary model blocks can be collected 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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NKTgLaw
Core library & API for the NKTg Law (Nguyen Khanh Tung). Includes core
Core library & API for the NKTg Law (Nguyen Khanh Tung). Includes core implementation, REST/gRPC API, and 150+ client wrappers -
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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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WaveFunctionCollapse
Bitmap & tilemap generation from a single example
...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 into the observation-propagation cycle. It may happen that during propagation all the coefficients for a certain pixel become zero. That means that the algorithm has run into a contradiction and can not continue. The problem of determining whether a certain bitmap allows other nontrivial bitmaps satisfying condition (C1) is NP-hard, so it's impossible to create a fast solution that always finishes. ... -
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noteq
Framework for clinical Tinnitology and Epigenetical mechanics.
...https://app.box.com/s/rz6xqjcsno3ffctgu2iyqs4vqfg1x3c4 The Independent Audiology Assistant Association for the Advancement of Tinnitology in public health care 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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...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 are often short and powerful and maybe useful for teaching), and also easy to modify (source code is free, written in C language, and based on notions of stacks and lists). In this version : - some bugs corrected - new examples in smib-0.48/documentation/application/eigenmath/ those examples are here : eigenmath.org (with explanations), they are just adapted to smib. ...
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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 molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. ... -
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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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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. -
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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... -
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tinnitology
The designer, developer, maintainer, distributor and Python 3-programm
...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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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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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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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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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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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 Of Life" Theory. ...
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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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libint
Libint computes molecular integrals
Libint is a software stack for computing integrals used in molecular quantum mechanics. -
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InterferenceSimulator
Demonstrates quantal two-slit Fresnel interference patterns.
...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.