Million‐Atom Simulation of the Set Process in Phase Change Memories at the Real Device Scale by Omar Abou El Kheir, Marco Bernasconi

Subjects: Get full text

Advancing the design of gold nanomaterials with machine-learned potentials by Kithma Sajini, Caroline Desgranges, Jerome Delhommelle

Subjects: Get full text

Constructing machine learning potential for metal nanoparticles of varying sizes via basin-hoping Monte Carlo and active learning by Gong Fu-Qiang, Xiong Ke, Cheng Jun

Subjects: Get full text

Development of Machine Learning Atomistic Potential for Molecular Simulation of Hematite–Water Interfaces by Mozhdeh Shiranirad, Niall J. English

Subjects: “…machine learning potential…”
Get full text

Nonequilibrium molecular dynamics study on thermal conductivity of spinel AB2O4 by Jiaqi Liang, Jiaxi Liu, Yifan Jing, Huicheng Yang, Shengmin Zhou, Yongpeng Xia, Fen Xu, Lixian Sun, Pengru Huang

Subjects: Get full text

Unveiling the unexpected sinking and embedding dynamics of surface supported Mo/S clusters on 2D MoS2 with active machine learning by Luneng Zhao, Yanhan Ren, Xiaoran Shi, Hongsheng Liu, Zhigen Yu, Junfeng Gao, Jijun Zhao

Subjects: Get full text

Suppression of irradiation defects and crack propagation in niobium via grain boundary engineering: A deep potential molecular dynamics study by Jiahang Li, Yajun Zhang, Jie Wang, Huadong Yong

Subjects: Get full text

Developing a machine learning Ni-Co-Al ternary interatomic potential for temperature and strain-rate dependent mechanical behaviors of Ni-based single crystal superalloys by Zhijia Qin, Shirong Liang, Linli Zhu, Penghua Ying, Dongfeng Li, Ligang Sun

Subjects: Get full text

Development of a Neuroevolution Machine Learning Potential of Al-Cu-Li Alloys by Fei Chen, Han Wang, Yanan Jiang, Lihua Zhan, Youliang Yang

Subjects: “…neuroevolution machine learning potential…”
Get full text

A Theoretical Study on the Structural Evolution of Ru–Zn Bimetallic Nanoparticles by Luxin Mu, Jingli Han, Yongpeng Yang

Subjects: Get full text

Modelling the Impact of Argon Atoms on a WO₃ Surface by Molecular Dynamics Simulations by Shokirbek Shermukhamedov, Thana Maihom, Michael Probst

Subjects: Get full text

Quantum Data-Driven Modeling of Interactions and Vibrational Spectral Bands in Cationic Light Noble-Gas Hydrides: [He₂H]⁺ and [Ne₂H]⁺ by María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti

Subjects: Get full text