Showing 10 open source projects for "electronic"

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  • 1
    QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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    Downloads: 0 This Week
    Last Update:
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  • 2

    CIF2Cell

    Generating cells for electronic structure calculations from CIF files

    CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files.
    Downloads: 10 This Week
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  • 3
    Quantum Honeycomp

    Quantum Honeycomp

    Interactive program to calculate electronic properties in graphene

    Calculate electronic properties of graphene-like systems with a user friendly interface. 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?
    Downloads: 0 This Week
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  • 4
    Qutranpy

    Qutranpy

    Interactive electronic quantum transport

    Interactive program to perform quantum transport calculations by means of the Landauer and scattering matrix formalism, in a two terminal geometry. The Hamiltonians of leads and scattering region can be modified, adding exchange fields, mass, spin-orbit coupling or superconductivity.
    Downloads: 0 This Week
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  • 5
    tranci

    tranci

    Calculate electronic properties of transition metal atoms

    Computational package to study transition metal atoms in surfaces, focusing on the effects of crystal field, spin orbit coupling and electronic interactions. Inputs are written in an user friendly interface, and creates a pdf and graphics with the results.
    Downloads: 0 This Week
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  • 6
    Python library to perform electronic structure calculations with tight binding models in different types of lattices and different dimensionalities. It allows to include different terms in the Hamiltonian as sublattice, exchange field or magnetic field. Provides functions to calculate different Green functions, band structure, density of states, transport using Landauer formula, topological invariants, etc.
    Downloads: 0 This Week
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  • 7
    graphene-like-ribbons

    graphene-like-ribbons

    Calculate electronic properties of graphene-like nanoribbons

    User friendly interface for calculating electronic properties in graphene-like ribbons. 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
    Downloads: 0 This Week
    Last Update:
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  • 8
    OpenMie aims to solve electromagnetic scattering problems via the Mie method to provide a benchmark against which to test more general scattering codes. Complete field solutions are given for a number of practical geometries.
    Downloads: 0 This Week
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  • 9
    Quantum Monte Carlo algorithms expressed in Python. This code calculates electronic properties of atoms and molecules from first principles.
    Downloads: 0 This Week
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  • 10
    PhiCAD is a LGPL'd , cross-platform software intended to provide to community an eclectic suite of CAD such as EDA to solve physics problems.
    Downloads: 0 This Week
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