ODAT-SE gallery

ODAT-SE Gallery

About

Open Data Analysis Tool for Science and Engineering (ODAT-SE) is a framework for applying a search algorithm to a direct problem solver to find the optimal solution. It has been developed by the name 2DMAT, and since version 3.0, it is organized as an open platform for data analysis by modularizing direct problem solvers and search algorithms.

As the standard direct problem solver, the experimental data analysis software for two-dimensional material structure analysis is prepared. The direct problem solver gives the deviation between the experimental data and the calculated data obtained under the given parameters such as atomic positions as a loss function used in the inverse problem. The optimal parameters are estimated by minimizing the loss function using a search algorithm. For further use, the original direct problem solver or the search algorithm can be defined by users. ODAT-SE offers wrappers of direct problem solvers for some of quantum beam diffraction experiments such as the total-reflection high-energy positron diffraction (TRHEPD) experiment. As algorithms, it offers some minimizers such as the Nelder-Mead method and some samplers such as the population annealing Monte Carlo method.

This repository provides the sample data including input and output files for ODAT-SE and the direct problem solvers as well as tutorial materials.

License

• Documents: CC BY 4.0
• Source codes: GNU General Public License v3.0 or later

We hope that you cite the reference when you publish the results using 2DMAT, our data or codes:

Yuichi Motoyama, Kazuyoshi Yoshimi, Izumi Mochizuki, Harumichi Iwamoto, Hayato Ichinose, Takeo Hoshi, "Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures", Computer Physics Comunications Available online 21 July 2022, 108465

Bibtex:

@article{MOTOYAMA2022108465, title = {Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures}, journal = {Computer Physics Communications}, pages = {108465}, year = {2022}, issn = {0010-4655}, doi = {https://doi.org/10.1016/j.cpc.2022.108465}, url = {https://www.sciencedirect.com/science/article/pii/S0010465522001849}, author = {Yuichi Motoyama and Kazuyoshi Yoshimi and Izumi Mochizuki and Harumichi Iwamoto and Hayato Ichinose and Takeo Hoshi} }

Folder structures

• LICENSE
• README.md
• data
  • samples
    • odatse-LEED
    • odatse-STR
    • odatse-SXRD
    • odatse-XAFS
  • tutorial
    • ODAT-SE-template

Contact

• 2dmat-dev__at__issp.u-tokyo.ac.jp

please replace __at__ by @.