Boltzmann machine modeling of layered MoS2 synthesis on a quantum annealer. Liu, J., Mohan, A., Kalia, R. K., Nakano, A., Nomura, K., Vashishta, P., & Yao, K. Computational Materials Science, 173:109429, February, 2020. ![Boltzmann machine modeling of layered MoS2 synthesis on a quantum annealer [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex Two-dimensional layered materials are usually synthesized by chemical vapor deposition (CVD). Here we use the Restricted Boltzmann Machine (RBM) and its enhancement called Limited Boltzmann Machine (LBM) on a quantum computer to model the chemical vapor deposition (CVD) growth data for a MoS2 monolayer. The CVD data for Boltzmann machines are generated by reactive molecular dynamics (RMD) simulations. The Boltzmann machines give insight into the semiconducting (2H) and metallic (1T) phases and defects generated during the CVD growth of MoS2. We compare the performances of the two types of Boltzmann machine models, i.e. RBM versus augmented topologies with limited intra-layer coupling between the hidden units (LBM). We show that limited topologies have a performance advantage over restricted topologies. We examine connectivity within our topological variants, explore hardware qubit mapping schemes, and discuss what performance differences may imply about locality within the data without prior knowledge.
@article{liu_boltzmann_2020,
title = {Boltzmann machine modeling of layered {MoS2} synthesis on a quantum annealer},
volume = {173},
issn = {0927-0256},
url = {http://www.sciencedirect.com/science/article/pii/S0927025619307281},
doi = {10.1016/j.commatsci.2019.109429},
abstract = {Two-dimensional layered materials are usually synthesized by chemical vapor deposition (CVD). Here we use the Restricted Boltzmann Machine (RBM) and its enhancement called Limited Boltzmann Machine (LBM) on a quantum computer to model the chemical vapor deposition (CVD) growth data for a MoS2 monolayer. The CVD data for Boltzmann machines are generated by reactive molecular dynamics (RMD) simulations. The Boltzmann machines give insight into the semiconducting (2H) and metallic (1T) phases and defects generated during the CVD growth of MoS2. We compare the performances of the two types of Boltzmann machine models, i.e. RBM versus augmented topologies with limited intra-layer coupling between the hidden units (LBM). We show that limited topologies have a performance advantage over restricted topologies. We examine connectivity within our topological variants, explore hardware qubit mapping schemes, and discuss what performance differences may imply about locality within the data without prior knowledge.},
language = {en},
urldate = {2020-10-05},
journal = {Computational Materials Science},
author = {Liu, Jeremy and Mohan, Ankith and Kalia, Rajiv K. and Nakano, Aiichiro and Nomura, Ken-ichi and Vashishta, Priya and Yao, Ke-Thia},
month = feb,
year = {2020},
keywords = {Boltzmann machine, Layered material, Quantum annealer},
pages = {109429},
file = {ScienceDirect Full Text PDF:C\:\\Users\\ktyao\\Zotero\\storage\\QS6MKFYD\\Liu et al. - 2020 - Boltzmann machine modeling of layered MoS2 synthes.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\ktyao\\Zotero\\storage\\CIRJZGGG\\S0927025619307281.html:text/html},
}
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