Search Results for "quantum statistical mechanics"
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Showing 44 open source projects for "quantum statistical mechanics"
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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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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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QUANTUM SALIS
Statistical algorithms for life sciences
Collection of algorithms for computational statistics in life sciences -
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QUCAS-Quantum-Cosmology-Integration
NOTICE OF CONSOLIDATION & PARTNERSHIP PENDING As of April 2026, the 20
NOTICE OF CONSOLIDATION & PARTNERSHIP PENDING As of April 2026, the 20 pipelines of the QCAUS/PDPBioGen suites are undergoing consolidation for high-scale institutional research. Core 'Ford 2026' algorithms remain the proprietary IP of the Ford Peace and Justice Foundation. Academic users at partner institutions are currently performing validation; all other commercial inquiries must contact the author License: Dual 🔬 Overview A complete computational framework for cosmological... -
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Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
...-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 Simulations", 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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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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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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Parallel and Distributed Process System
NOTICE OF CONSOLIDATION & PARTNERSHIP PENDING As of April 2026, the 20
NOTICE OF CONSOLIDATION & PARTNERSHIP PENDING As of April 2026, the 20 pipelines of the QCAUS/PDPBioGen suites are undergoing consolidation for high-scale institutional research. Core 'Ford 2026' algorithms remain the proprietary IP of the Ford Peace and Justice Foundation. Academic users at partner institutions are currently performing validation; all other commercial inquiries must contact the author Computational Neuroscience: Large-scale neural population dynamics, brain-inspired... -
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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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Genome Information Entropy Spectrum
A code that computes information entropy spectrum of any genome.
We request users of this software to please kindly cite this article: Melvin M. Vopson, Samuel C. Robson, A new method to study genome mutations using the information entropy, Physica A: Statistical Mechanics and its Applications, Volume 584, 126383 (2021) https://doi.org/10.1016/j.physa.2021.126383 The GENIES program is a stand alone code, with an easy to use graphical interface that performs the following tasks: a) it loads up two genome files (original and mutated); b) it computes the information entropy spectrum of each genome; c) it computes the information entropy ratio spectrum; d) it extracts the number of mutations identified, their index location and then it saves all the data including the spectra; e) in addition, the program performs a base point to base point comparison of the two genomes to detect the mutations via direct comparison. ... -
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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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LBTR - Learning Based Targeted Revision
LBTR: learning based method for incremental community detection
This is the source code of paper: Shang, Jiaxing, Lianchen Liu, Xin Li, Feng Xie, and Cheng Wu. "Targeted revision: A learning-based approach for incremental community detection in dynamic networks." Physica A: Statistical Mechanics and its Applications 443 (2016): 70-85. Anyone using the source code plearse cite this paper. -
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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 with a graphical user interface design that is user-friendly and easy to work with. This application is written in c++ and Fortran and has parallel processing ability. -
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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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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
