Damage mechanism identification in composites via machine learning and acoustic emission

by C. Muir, B. Swaminathan, A. S. Almansour, K. Sevener, C. Smith, M. Presby, J. D. Kiser, T. M. Pollock, S. Daly
Published 2021-06-01

Super-resolving material microstructure image via deep learning for microstructure characterization and mechanical behavior analysis

by Jaimyun Jung, Juwon Na, Hyung Keun Park, Jeong Min Park, Gyuwon Kim, Seungchul Lee, Hyoung Seop Kim
Published 2021-06-01

First-principles prediction of electronic transport in fabricated semiconductor heterostructures via physics-aware machine learning

by Artem K. Pimachev, Sanghamitra Neogi
Published 2021-06-01

Materials information and mechanical response of TRIP/TWIP Ti alloys

by Guohua Zhao, Xiaoqing Li, Nik Petrinic
Published 2021-06-01

From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces

by Carla Lupo, Evan Sheridan, Edoardo Fertitta, David Dubbink, Chris J. Pickard, Cedric Weber
Published 2021-06-01

Study of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction

by Edoardo Fertitta, Sujit Das, Debalina Banerjee, Farbod Ebrahimi, Clément Barraud, Kai Du, He Tian, Chris J. Pickard, Cedric Weber, Ramamoorthy Ramesh, Peter Littlewood, David Dubbink
Published 2021-06-01

Publisher Correction: Adsorption space for microporous polymers with diverse adsorbate species

by Dylan M. Anstine, Dai Tang, David S. Sholl, Coray M. Colina
Published 2021-05-01

Compositionally restricted attention-based network for materials property predictions

by Anthony Yu-Tung Wang, Steven K. Kauwe, Ryan J. Murdock, Taylor D. Sparks
Published 2021-05-01

Machine learning for deep elastic strain engineering of semiconductor electronic band structure and effective mass

by Evgenii Tsymbalov, Zhe Shi, Ming Dao, Subra Suresh, Ju Li, Alexander Shapeev
Published 2021-05-01

Decoding defect statistics from diffractograms via machine learning

by Cody Kunka, Apaar Shanker, Elton Y. Chen, Surya R. Kalidindi, Rémi Dingreville
Published 2021-05-01

Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters

by Qi Gao, Gavin O. Jones, Mario Motta, Michihiko Sugawara, Hiroshi C. Watanabe, Takao Kobayashi, Eriko Watanabe, Yu-ya Ohnishi, Hajime Nakamura, Naoki Yamamoto
Published 2021-05-01

A deep convolutional neural network for real-time full profile analysis of big powder diffraction data

by Hongyang Dong, Keith T. Butler, Dorota Matras, Stephen W. T. Price, Yaroslav Odarchenko, Rahul Khatry, Andrew Thompson, Vesna Middelkoop, Simon D. M. Jacques, Andrew M. Beale, Antonis Vamvakeros
Published 2021-05-01

Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture

by Cheol Woo Park, Mordechai Kornbluth, Jonathan Vandermause, Chris Wolverton, Boris Kozinsky, Jonathan P. Mailoa
Published 2021-05-01

INDEEDopt: a deep learning-based ReaxFF parameterization framework

by Mert Y. Sengul, Yao Song, Nadire Nayir, Yawei Gao, Ying Hung, Tirthankar Dasgupta, Adri C. T. van Duin
Published 2021-05-01

Correcting the corrections for charged defects in crystals

by Aron Walsh
Published 2021-05-01

Data driven discovery of conjugated polyelectrolytes for optoelectronic and photocatalytic applications

by Yangyang Wan, Fernando Ramirez, Xu Zhang, Thuc-Quyen Nguyen, Guillermo C. Bazan, Gang Lu
Published 2021-05-01

Analogical discovery of disordered perovskite oxides by crystal structure information hidden in unsupervised material fingerprints

by Achintha Ihalage, Yang Hao
Published 2021-05-01

Evolutionary computing and machine learning for discovering of low-energy defect configurations

by Marco Arrigoni, Georg K. H. Madsen
Published 2021-05-01

The critical role of hot carrier cooling in optically excited structural transitions

by Wen-Hao Liu, Jun-Wei Luo, Shu-Shen Li, Lin-Wang Wang
Published 2021-07-01

From basic properties to the Mott design of correlated delafossites

by Frank Lechermann
Published 2021-07-01