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Materials Intelligence

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Rhone Research Group

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Select Publications

Data-Driven Studies of Two-Dimensional Materials and Their Nonlinear Optical Properties

K. Wagoner-Oshima, R. Bhattarai, H. Terrones, and T. D. Rhone, “Data-Driven Studies of Two-Dimensional Materials and Their Nonlinear Optical Properties,” ACS Appl. Mater. Interfaces, Feb. 2025.

Predicting magnetic properties of van der Waals magnets using graph neural networks

P. Minch, R. Bhattarai, K. Choudhary, and T. D. Rhone, “Predicting magnetic properties of van der Waals magnets using graph neural networks,” Phys. Rev. Mater., vol. 8, no. 11, p. 114002, Nov. 2024.

Strain-induced topological phase transition in ferromagnetic Janus monolayer MnSbBiS2Te2

R Bhattarai, P Minch, Y Liang, S Zhang, TD Rhone

Physical Chemistry Chemical Physics

Data-driven study of magnetic anisotropy in transition metal dichalcogenide monolayers

Peter Minch, Romakanta Bhattarai, Trevor David Rhone, “Data-driven study of magnetic anisotropy in transition metal dichalcogenide monolayers,” Solid State Commun., vol. 371, p. 115248, 2023.

Artificial intelligence guided studies of van der Waals magnets

Trevor David Rhone Romakanta Bhattarai Haralambos Gavras Bethany Lusch Misha Salim Marios Mattheakis Daniel T. Larson Yoshiharu Krockenberger Efthimios Kaxiras, Advanced Theory and Simulation, 202300019 (2023)  [preprint]

Machine Learning-Aided Band Gap Engineering of BaZrS3 Chalcogenide Perovskite

Shyam Sharma, Zachary D. Ward, Kevin Bhimani, Mukul Sharma, Joshua Quinton, Trevor David Rhone, Su-Fei Shi, Humberto Terrones, and Nikhil Koratkar,  ACS Appl. Mater. Interfaces, Apr. 2023.

Investigating magnetic van der Waals materials using data-driven approaches

R. Bhattarai, P. Minch, and T. D. Rhone,, J. Mater. Chem. C, 2023, Advance Article

Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials

Y. Xie, G. A. Tritsaris, O. Grånäs, and T. D. Rhone, J. Phys. Chem. Lett. 12048 (2021).

Data-driven studies of magnetic two-dimensional materials

 TD Rhone, W Chen, S Desai, S. B. Torrisi, D . Larson, A Yacoby, E Kaxiras Scientific Reports 10, 15795 (2020)

COMBO: an efficient Bayesian optimization library for materials science

 T Ueno, TD Rhone, Z Hou, T Mizoguchi, K Tsuda Materials discovery 4, 18-21 (2016)

Data-driven studies of li-ion-battery materials

SK Kauwe, TD Rhone, TD Sparks Crystals 9 (1), 54 (2019)

Systematic search for two-dimensional ferromagnetic materials

Y Zhu, X Kong, TD Rhone, H Guo Physical Review Materials 2 (8), 081001 (2018)

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