@article{b737c54ece794e13bc5d626c41d91d85,
title = "Ingrained: An Automated Framework for Fusing Atomic-Scale Image Simulations into Experiments",
abstract = "To fully leverage the power of image simulation to corroborate and explain patterns and structures in atomic resolution microscopy, an initial correspondence between the simulation and experimental image must be established at the outset of further high accuracy simulations or calculations. Furthermore, if simulation is to be used in context of highly automated processes or high-throughput optimization, the process of finding this correspondence itself must be automated. In this work, “ingrained,” an open-source automation framework which solves for this correspondence and fuses atomic resolution image simulations into the experimental images to which they correspond, is introduced. Herein, the overall “ingrained” workflow, focusing on its application to interface structure approximations, and the development of an experimentally rationalized forward model for scanning tunneling microscopy simulation are described.",
keywords = "image registration, materials image simulations, microscopy automation",
author = "Eric Schwenker and Kolluru, {Venkata Surya Chaitanya} and Jinglong Guo and Rui Zhang and Xiaobing Hu and Qiucheng Li and Paul, {Joshua T.} and Hersam, {Mark C.} and Dravid, {Vinayak P.} and Robert Klie and Guest, {Jeffrey R.} and Chan, {Maria K.Y.}",
note = "Funding Information: This work was supported, in part, as a part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Basic Energy Sciences under award number DE‐AC02–06CH11. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under Contract No. DE‐AC02‐06CH11357. This work was also partially supported by the National Science Foundation Materials Research Science and Engineering Center at Northwestern University (NSF DMR‐1720139). M.C. and J.T.P. acknowledge the support from the BES SUFD Early Career award. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE‐AC02‐05CH11231. We gratefully acknowledge the computing resources provided on Bebop, a high‐performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. Funding Information: This work was supported, in part, as a part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Basic Energy Sciences under award number DE-AC02–06CH11. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC02-06CH11357. This work was also partially supported by the National Science Foundation Materials Research Science and Engineering Center at Northwestern University (NSF DMR-1720139). M.C. and J.T.P. acknowledge the support from the BES SUFD Early Career award. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We gratefully acknowledge the computing resources provided on Bebop, a high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. Publisher Copyright: {\textcopyright} 2022 Wiley-VCH GmbH.",
year = "2022",
month = may,
day = "12",
doi = "10.1002/smll.202102960",
language = "English (US)",
volume = "18",
journal = "Small",
issn = "1613-6810",
publisher = "Wiley-VCH Verlag",
number = "19",
}