pyzfs
Spin Tensor Calculator
Calculates spin-spin component of a tensor describing molecular or material properties.
A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.
11 stars
2 watching
10 forks
Language: Python
last commit: almost 5 years ago
Linked from 1 awesome list
defectsdensity-functional-theorymaterials-sciencequantum-informationspin
Related projects:
Repository | Description | Stars |
---|---|---|
| Software for simulating optical transfer functions in microscopy using Python | 71 |
| A Python package to compute thermochemical data from electronic structure calculations | 1 |
| Automated workflow for generating and storing DFT calculations for organic molecules using Python and machine learning. | 88 |
| Automates preparation and submission of DFT calculations for materials science simulations | 6 |
| A deep learning framework for automatic and semi-automatic segmentation of 3D image stacks in connectomics | 172 |
| Electromagnetic field simulator for nanophotonics applications using eigenmode expansion and advanced boundary conditions. | 66 |
| A Python library for performing 'quantum information many-body' calculations using tensor networks. | 503 |
| An algorithm for dimensionality reduction in single-cell data with applications in genomics and bioinformatics | 108 |
| A framework for calculating thermodynamic properties and phase equilibria of complex fluids. | 129 |
| An open framework for simulating complex chemical reactions on high-performance computing hardware. | 181 |
| A Python package for calculating molecular features. | 165 |
| A package for performing sparse tensor operations on complex numbers in the browser | 54 |
| Generates numerical integration grids for molecules based on atom coordinates and basis set information. | 47 |
| A package for creating and manipulating molecular systems using classical force fields. | 400 |
| A tensor library with support for differentiable programming in machine learning and optimization. | 591 |