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cond-mat.mtrl-sci2024★ 28 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…
cond-mat.mtrl-sci2023
Thermal Conductivity of Water at Extreme Conditions
Cunzhi Zhang, Marcello Puligheddu, Linfeng Zhang +2
Measuring the thermal conductivity () of water at extreme conditions is a challenging task and few experimental data are available. We predict for temperatures and pressures…