3 papers
cond-mat.mtrl-sci2026
Intermediates of Forming Transition Metal Dichalcogenide Heterostructures Revealed by Machine Learning Simulations
Luneng Zhao, Hongsheng Liu, Yuan Chang +4
Two-dimensional (2D) transition metal dichalcogenide (TMD) van der Waals heterostructures (vdWHs) hold promise for high-performance electronics, but their large-scale synthesis rem…
cond-mat.mtrl-sci2025
Atomically-precise synthesis and simultaneous integration of 2D transition metal dichalcogenides enabled by nano-confinement
Ce Bian, Yifan Zhao, Roger Guzman +15
Two-dimensional (2D) materials, such as graphene, transition metal dichalcogenides (TMDs), and hBN, exhibit intriguing properties that are sensitive to their atomic-scale structure…
cond-mat.mtrl-sci2025
Advances in modeling complex materials: The rise of neuroevolution potentials
Penghua Ying, Cheng Qian, Rui Zhao +4
Interatomic potentials are essential for driving molecular dynamics (MD) simulations, directly impacting the reliability of predictions regarding the physical and chemical properti…