Advanced machine learning decision policies for diameter control of carbon nanotubes

by Rahul Rao, Jennifer Carpena-Núñez, Pavel Nikolaev, Michael A. Susner, Kristofer G. Reyes, Benji Maruyama
Published 2021-10-01

Sign-reversible valley-dependent Berry phase effects in 2D valley-half-semiconductors

by Xiaodong Zhou, Run-Wu Zhang, Zeying Zhang, Wanxiang Feng, Yuriy Mokrousov, Yugui Yao
Published 2021-10-01

Gaussian process analysis of electron energy loss spectroscopy data: multivariate reconstruction and kernel control

by Sergei V. Kalinin, Andrew R. Lupini, Rama K. Vasudevan, Maxim Ziatdinov
Published 2021-09-01

Computing grain boundary diagrams of thermodynamic and mechanical properties

by Chongze Hu, Yanwen Li, Zhiyang Yu, Jian Luo
Published 2021-10-01

Machine learning on properties of multiscale multisource hydroxyapatite nanoparticles datasets with different morphologies and sizes

by Ziteng Liu, Yinghuan Shi, Hongwei Chen, Tiexin Qin, Xuejie Zhou, Jun Huo, Hao Dong, Xiao Yang, Xiangdong Zhu, Xuening Chen, Li Zhang, Mingli Yang, Yang Gao, Jing Ma
Published 2021-09-01

Differential programming enabled functional imaging with Lorentz transmission electron microscopy

by Tao Zhou, Mathew Cherukara, Charudatta Phatak
Published 2021-09-01

Searching for a route to synthesize in situ epitaxial Pr2Ir2O7 thin films with thermodynamic methods

by Lu Guo, Shun-Li Shang, Neil Campbell, Paul G. Evans, Mark Rzchowski, Zi-Kui Liu, Chang-Beom Eom
Published 2021-09-01

Deep learning framework for material design space exploration using active transfer learning and data augmentation

by Yongtae Kim, Youngsoo Kim, Charles Yang, Kundo Park, Grace X. Gu, Seunghwa Ryu
Published 2021-09-01

Predicting temperature-dependent ultimate strengths of body-centered-cubic (BCC) high-entropy alloys

by B. Steingrimsson, X. Fan, X. Yang, M. C. Gao, Y. Zhang, P. K. Liaw
Published 2021-09-01

Evolutionary computational platform for the automatic discovery of nanocarriers for cancer treatment

by Namid R. Stillman, Igor Balaz, Michail-Antisthenis Tsompanas, Marina Kovacevic, Sepinoud Azimi, Sébastien Lafond, Andrew Adamatzky, Sabine Hauert
Published 2021-09-01

Visualizing temperature-dependent phase stability in high entropy alloys

by Daniel Evans, Jiadong Chen, George Bokas, Wei Chen, Geoffroy Hautier, Wenhao Sun
Published 2021-09-01

Author Correction: High energy barriers for edge dislocation motion in body-centered cubic high entropy alloys

by R. E. Kubilay, A. Ghafarollahi, F. Maresca, W. A. Curtin
Published 2021-09-01

Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics

by Svetoslav Nikolov, Mitchell A. Wood, Attila Cangi, Jean-Bernard Maillet, Mihai-Cosmin Marinica, Aidan P. Thompson, Michael P. Desjarlais, Julien Tranchida
Published 2021-09-01

Exploiting the quantum mechanically derived force field for functional materials simulations

by Alexey Odinokov, Alexander Yakubovich, Won-Joon Son, Yongsik Jung, Hyeonho Choi
Published 2021-09-01

Computational synthesis of substrates by crystal cleavage

by Joshua T. Paul, Alice Galdi, Christopher Parzyck, Kyle M. Shen, Jared Maxson, Richard G. Hennig
Published 2021-09-01

Minimal-active-space multistate density functional theory for excitation energy involving local and charge transfer states

by Ruoqi Zhao, Christian P. Hettich, Xin Chen, Jiali Gao
Published 2021-09-01

A machine learning framework for damage mechanism identification from acoustic emissions in unidirectional SiC/SiC composites

by C. Muir, B. Swaminathan, K. Fields, A. S. Almansour, K. Sevener, C. Smith, M. Presby, J. D. Kiser, T. M. Pollock, S. Daly
Published 2021-09-01

Deep learning ferroelectric polarization distributions from STEM data via with and without atom finding

by Christopher T. Nelson, Ayana Ghosh, Mark Oxley, Xiaohang Zhang, Maxim Ziatdinov, Ichiro Takeuchi, Sergei V. Kalinin
Published 2021-09-01

How dopants limit the ultrahigh thermal conductivity of boron arsenide: a first principles study

by Mauro Fava, Nakib Haider Protik, Chunhua Li, Navaneetha Krishnan Ravichandran, Jesús Carrete, Ambroise van Roekeghem, Georg K. H. Madsen, Natalio Mingo, David Broido
Published 2021-04-01

Two-step machine learning enables optimized nanoparticle synthesis

by Flore Mekki-Berrada, Zekun Ren, Tan Huang, Wai Kuan Wong, Fang Zheng, Jiaxun Xie, Isaac Parker Siyu Tian, Senthilnath Jayavelu, Zackaria Mahfoud, Daniil Bash, Kedar Hippalgaonkar, Saif Khan, Tonio Buonassisi, Qianxiao Li, Xiaonan Wang
Published 2021-04-01