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11 public repositories
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A reference implementation for a quantum virtual machine in Python
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Feb 7, 2019
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Python
Set of quantum chemistry programs and libraries
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Dec 19, 2020
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Fortran
Quantum Package : a programming environment for wave function methods
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Jan 25, 2021
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Fortran
Modeling and Crystallographic Utilities
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Dec 2, 2020
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Python
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
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Apr 11, 2020
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Shell
Time-evolution of a wavefunction using a Krylov subspace expansion
A wave function tunneling across a barrier
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May 15, 2019
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Jupyter Notebook
A Rust module for manipulating VASP WAVECAR.
Artificial neural networks applied as molecular wave function solvers
Continuous symmetry measures (CSM) of electronic wave function
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Jul 31, 2020
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Fortran
Visualization with animation and interactive plot
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Dec 16, 2020
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Jupyter Notebook
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