Search Results for "matlab quantum mechanics"
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Showing 59 open source projects for "matlab quantum mechanics"
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1
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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QuantumOptics.jl
Library for the numerical simulation of closed as well as open quantum
QuantumOptics.jl is a numerical framework written in the Julia programming language that makes it easy to simulate various kinds of open quantum systems. It is inspired by the Quantum Optics Toolbox for MATLAB and the Python framework QuTiP. QuantumOptics.jl optimizes processor usage and memory consumption by relying on different ways to store and work with operators. The framework comes with a plethora of pre-defined systems and interactions making it very easy to focus on the physics, not on the numerics. ... -
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FEATool Multiphysics
Physics Simulation Made Easy" (Fully Integrated FEA, FEniCS
FEATool Multiphysics (short for Finite Element Analysis Toolbox), is a fully integrated simulation platform for modeling all types of coupled physics phenomena, continuum mechanics, and engineering problems. By providing a truly easy to use and integrated all-in-one simulation platform for multi-physics analysis, makes FEATool an ideal simulation and modeling tool for everyone from students learning mathematical modeling, to researchers and engineers wishing to explore new ideas in a no... -
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5
Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
...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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WavePacket (Matlab/Octave)
Dynamics of quantum systems, controlled by external fields
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, partly also 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 in photo-induced physics or chemistry, including quantum optimal control. ... -
7
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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FEATool Multiphysics - FEA & CFD Toolbox
FEATool Multiphysics is an easy-to-use FEA and CFD Simulation Toolbox
...With a very easy-to-use GUI, anyone is now able to quickly set up and perform large scale dynamical and complex engineering physics simulations, with coupled fluid flow, heat transfer, structural mechanics, chemical transport, and electromagnetics effects, without having to learn complex programming. In addition to built-in CAD and pre/post-processing, automatic mesh generation, and multi-physics solvers, FEATool also seamlessly integrates the state-of-the-art OpenFOAM [1], SU2, and FEniCS CFD and FEA solvers. Moreover, native itegration with MATLAB and Python allows advanced simulation scripts and programmatic use cases such as in AI and machine learning [2]... -
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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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CFDTool - CFD & OpenFOAM GUI Toolbox
CFDTool - Easy to Use Computational Fluid Dynamics (CFD) Toolbox
CFDTool - "CFD Simulation Made Easy" CFDTool is a fluid dynamics toolbox for modeling and simulation of flows with coupled heat transfer. Based on FEATool Multiphysics (https://www.featool.com), CFDTool is specifically designed to make advanced fluid mechanics and heat transfer simulations both easy and enjoyable. - Completely stand-alone and cross-platform self-contained toolbox - Optionally use as MATLAB Add-On toolbox - Fully integrated and easy to use MATLAB GUI - Modeling and simulation in 1D, 2D, 3D, and axisymmetric/swirl/cylindrical coordinate systems - Seamless OpenFOAM GUI and SU2 CFD solver integrations (https://www.featool.com/Easy-to-Use-OpenFOAM-GUI) - Built-in geometry and CAD tools - Automatic mesh and grid generation - Pre-defined equations and boundary conditions for: + Incompressible viscous fluid flows (Navier-Stokes equations) + Compressible, supersonic, trans-sonic, and turbulent flows + Heat conduction with conjugate heat transfer -
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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 -
12
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) -
13
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. ... -
14
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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Quantum Information Toolkit is a comprehensive, easy-to-use interactive numerical toolkit for quantum information and computing, available for both MATLAB and Python.
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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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17
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. ... -
18
TBStudio
A quantum technical software to find Tight-Binding model of structures
...One can obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals for the different atoms and present the SK coefficients in an orthogonal or nonorthogonal basis set. Furthermore, by using TBStudio you can generate your own code in your preferred programming language ie. C++, C, Fortran, Mathematica, Matlab, and Python. TBStudio and its examples together with the tutorials are available for download from tight-binding.com. -
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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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MolDynSim
TrajLab subproject: Molecular dynamics simulations in MATLAB
This is a subproject of TrajLab which is probably the first attempt for a general purpose molecular simulation package in MATLAB. While the authors are aware that many other highly specialized and highly optimized program packages for the same purpose exist (e. g. AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research... -
21
MetaStable
TrajLab subproject: Metastability analysis of molecular conformations
This is a subproject of TrajLab which is probably the first attempt for a general purpose molecular simulation package in MATLAB. While the authors are aware that many other highly specialized and highly optimized program packages for the same purpose exist (e. g. AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research... -
22
diauxic growth model ensemble
An ensemble of models showing diauxic growth behavior
An ensemble of mathematical model is presented that all show diauxic growth behaviour of a bacterial culture. Carbon catabolite repression (CCR) is the main mechanism controlling carbohydrate uptake in bacteria, and therefore also controlling whether or not different carbon sources are metabolized in parallel or sequentially. Although described as a paradigm of the regulation of bacterial metabolism, the underlying mechanisms remain controversial. The models in the ensemble can... -
23
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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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 . ...
