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

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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 recent contributions to the code base.


Version 6.3.0 is the current & latest version as of 1-4-2024

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

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

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

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