51 citations · 51 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2025
Accelerating and enhancing thermodynamic simulations of electrochemical interfaces
Xiaochen Du, Mengren Liu, Jiayu Peng +6
Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsor…
cond-mat.mtrl-sci2023★ 51 cited
Machine-learning-accelerated simulations to enable automatic surface reconstruction
Xiaochen Du, James K. Damewood, Jaclyn R. Lunger +4
Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, a…