Chao Zhang

发表

Development of a deep machine learning interatomic potential for metalloid-containing Pd-Si compounds

K. Ho, Caizhuang Wang, M. Kramer, 2019, Physical review B.

Discovering rare-earth-free magnetic materials through the development of a database

Huaijun Sun, J. Chelikowsky, K. Ho, 2020, Physical Review Materials.

Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions

K. Ho, Caizhuang Wang, L. Tang, 2022, Physical Review Materials.

Straintronic Effect on Phonon-Mediated Superconductivity of Nb2CT2 (T = O, S, Se, or Te) MXenes

K. Ho, Caizhuang Wang, Chao Zhang, 2022, The Journal of Physical Chemistry C.

Neural network potential for Zr–Rh system by machine learning

K. Ho, Caizhuang Wang, Chao Zhang, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

K. Ho, Caizhuang Wang, T. Wen, 2021 .

A deep learning interatomic potential developed for atomistic simulation of carbon materials

K. Ho, Caizhuang Wang, Chao Zhang, 2022, Carbon.

Accelerating the discovery of novel magnetic materials using machine learning–guided adaptive feedback

Huaijun Sun, J. Chelikowsky, K. Ho, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Topochemical Deintercalation of Li from Layered LiNiB: toward 2D MBene.

K. Ho, Caizhuang Wang, Yang Sun, 2021, Journal of the American Chemical Society.

Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions

K. Ho, Caizhuang Wang, Yang Sun, 2023, 2303.03585.

Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides

Huaijun Sun, J. Chelikowsky, K. Ho, 2022, Physical Review Materials.

An ultra-incompressible Mn3N compound predicted by first-principles genetic algorithm

K. Ho, Caizhuang Wang, Yang Sun, 2020 .

Magnetic iron-cobalt silicides discovered using machine-learning

Huaijun Sun, J. Chelikowsky, Caizhuang Wang, 2023, Physical Review Materials.

Zero-point quantum diffusion of protons in the hydrogen-rich superconductor LaH10 from first principles

G. Shi, Chao Zhang, Peiheng Jiang, 2023, Physical Review B.

Phase transition, mechanical and electronic properties of Ti3B4 under high pressure

Chao Zhang, Chao Zhang, Yuehua Su, 2023, Vacuum.

Structure and dynamics of Fe90Si3O7

Caizhuang Wang, Yang Sun, Chao Zhang, 2023, Physical Review B.

Simulation studies of the stability and growth kinetics of Pt-Sn phases using a machine learning interatomic potential

Huaijun Sun, Feng Zhang, Caizhuang Wang, 2023, Computational Materials Science.