output
20162025
most citedHigh anisotropy of fully hydrogenated borophene

139 citations

10 papers

cond-mat.mtrl-sci202510 cited

Stabilizing Single-Atom Catalysts on Metastable Phases of Transition Metal Dichalcogenides

Lina Wang, Zhenhai Wen, Guangfu Luo

Single-atom catalysts have attracted significant attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems…

cond-mat.mtrl-sci202428 cited

Revealing the molecular structures of a-Al2O3(0001)-water interface by machine learning based computational vibrational spectroscopy

Xianglong Du, Weizhi Shao, Chenglong Bao +3

Solid-water interfaces are crucial to many physical and chemical processes and are extensively studied using surface-specific sum-frequency generation (SFG) spectroscopy. To establ…

physics.chem-ph20249 cited

Tell machine learning potentials what they are needed for: Simulation-oriented training exemplified for glycine

Fuchun Ge, Ran Wang, Chen Qu +6

Machine learning potentials (MLPs) are widely applied as an efficient alternative way to represent potential energy surfaces (PES) in many chemical simulations. The MLPs are often…

physics.chem-ph202315 cited

Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models

Fuchun Ge, Lina Zhang, Yi-Fan Hou +3

We demonstrate that AI can learn atomistic systems in the four-dimensional (4D) spacetime. For this, we introduce the 4D-spacetime GICnet model which for the given initial conditio…

physics.chem-ph202319 cited

Energy-conserving molecular dynamics is not energy conserving

Lina Zhang, Yi-Fan Hou, Fuchun Ge +1

Molecular dynamics (MD) is a widely-used tool for simulating the molecular and materials properties. It is a common wisdom that molecular dynamics simulations should obey physical…

quant-ph20216 cited

Microwave Amplification in a PT -symmetric-like Cavity Magnomechanical System

Hua Jin, Zhi-Bo Yang, Jing-Wen Jin +3

We propose a scheme that can generate tunable magnomechanically induced amplification in a double-cavity parity-time-(PT -) symmetric-like magnomechanical system under a strong con…