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Molecular-Spintronics-Research-Project

Author: Christopher D'Angelo

With much help and guidance from Prof. Pawan Tyagi, Center for Nanotechnology Research and Education (CNRE) at the University of the District of Columbia (UDC) https://www.udc.edu/seas/centers/cnre/

Special thanks to my student Robert J. for his contributions to the GUI code base, and Vladimir Vinarskiy for bug testing mcheisenberg (v7).


Version 7.0.3 is the current & latest version as of 3-20-2026

Testing needed:
v6.0.0: The custom molecule features have not yet been fully tested, but preliminary results are promising.
v6.1.0: MSD.py python binding.
v6.2.0: Molecule Iterators, and Iterator support in MSD.py
v6.3.0: Unit tests for MSDServer and JS
v7.0.0: Everything (full rebuild)

Planned additions:
1. Changes to simulation to measure and control the Electric Field.
2. Build new AI/ML powered apps using the new Python binding of MSD.3
3. GUI interface (see ~/MSD-builer.html)
(Old) See Taskade for full list of planned additions: https://www.taskade.com/v/p1KbJ8wL5XbigKjX

Version history (see ~/change-log.txt for more details):

(11-1-2020) Version 5.1.0 is now complete and ready to be beta tested.
(11-3-2020) Version 5.1.1 has a major bug fix in calculations!
(11-17-2020) Version 5.2.0 added the ability to set the seed in MSD. (Only added this functionallity to the iterate.cpp program so far.)
(12-15-2020) Version 5.3.0 change how the spin flux vectors are changed durring metropolis. Now their magnitude is randomized as well.
(12-15-2020) Version 5.3.1 allow magnetize programs to align the magnetic field in any direction (not just the y direction) using spherical coord.
(2-10-2021) Version 5.3.2 added two bug fixes in MSD.h
(3-9-2021) Version 5.4.0 added Je0, Je1, and Jee parameters.
(3-23-2021) Version 5.4.1. Major bug fixes
(5-27-2021) Version 5.4.2 New metropolis parameters features
(5-27-2021) Version 5.4.3 Minor bug fixes and optimizations
(6-11-2021) Version 5.5.0 Structural changes, Skyrmions, and minor bug fixes
(7-11-2021) Version 5.5.1 Structural changes, MS and MF results, and minor bug fixes
(7-18-2021) Version 5.5.2 Major optimization!
(Unknown date) Version 6.0.0 was a major upgrade to the molecule section of the MSD, changing it to a graph/network structure, allowing for full flexibility in constructing a custom molecule.
(11-29-2022) Version 6.2.0 Added mol-tool, MMT/MMB utilities, python binding, and Molecule iterators
(11-30-2022) Version 6.2.1 Bug fix in MSD.py. Added docs.
(12-7-2022) Version 6.2.2 Updated mol-builder (previously mol-tool), and fixed bug
(2-8-2023) Version 6.2.3 Fixed bug in mmt_compiler
(2-17-2023) Version 6.2.4 Added MMT support to all apps
(1-4-2024) Version 6.3.0 Created HTTP Server to run simulations concurrently
(3-5-2026) Version 7.0.0 mcheisenberg Python/x64 rebuild

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Simulation software I wrote for doing theoretical experiments on molecular spintronics devices (MSD)

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