Search Results for "quantum"

The Amazon Braket Default Simulator is a Python open-source library that provides an implementation of a quantum simulator that you can run locally. You can use the simulator to test quantum tasks that you construct for the Amazon Braket SDK before you submit them to the Amazon Braket service for execution. You must have the Amazon Braket SDK installed to use the local simulator. Follow the instructions in the README for setup. If you want to contribute to the project, be sure to run unit tests and get a successful result before you submit a pull request. ...

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 : http://alamode.readthedocs.io/en/latest/ git repository : https://github.com/ttadano/alamode

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 drivers. ...

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. ...

...The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example videos https://www.youtube.com/watch?v=8gO1yRmwgAs https://www.youtube.com/watch?v=FQlkqAW7Nhs https://www.youtube.com/watch?v=R7Kt3_DHTtM https://www.youtube.com/watch?v=tQKG_h0FaTM

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

...The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp

An open source project project to make Quantum Field Theory calculations and demonstrations using python.

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.

a distributed engine for abstract neural network development via natural-language programming