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Search results for physics density functional theory
density-functional-theory
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physics
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16 search results found
Deeph Pack
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161
Deep neural networks for density functional theory Hamiltonian.
Sisl
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159
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Abipy
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103
Open-source library for analyzing the results produced by ABINIT
Feos
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85
FeOs - A Framework for Equations of State and Classical Density Functional Theory
P4vasp
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46
p4vasp, the VASP Visualization Tool
Pylada Light
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36
A physics computational framework for python and ipython
Pythoncompphys
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31
Some python workbooks with various topics from Computational Physics
Mrchem
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24
MultiResolution Chemistry
Autoforce
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23
Sparse Gaussian Process Potentials
Dftquantumdot
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19
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
Dftatom
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18
Density Functional Theory in real space, for atoms, LDA and LSDA
Pytopomat
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15
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
Xdeeph
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15
Extended DeepH (xDeepH) method for magnetic materials.
Pumml
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11
Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.
Crystals.jl
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5
Atomic crystal structures for Julia
Openmx Hks
⭐
5
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
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1-16 of 16 search results
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