Lv21
120 积分 2026-05-14 加入
Distilling First-Principles Accuracy into Compact Machine Learning Potentials for Condensed-Phase Chemistry
7分钟前
已完结
Nuclear quantum effects on structure and thermal conductivity of superionic ice
11分钟前
已完结
Insights into the Structure and Dynamics of Water at Co3O4(001) Using a High‐Dimensional Neural Network Potential
1个月前
已完结
Unraveling Surface Hydroxylation Equilibrium and Proton Dynamics at the Water and Monoclinic ZrO 2 Interface from Reactive Molecular Dynamics Simulations
1个月前
已完结
Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces
1个月前
已完结
Unraveling Surface Hydroxylation Equilibrium and Proton Dynamics at the Water and Monoclinic ZrO 2 Interface from Reactive Molecular Dynamics Simulations
2个月前
已完结
From flat to stepped: active learning frameworks for investigating local structure at copper–water interfaces
2个月前
已完结
Quantum Delocalization Enables Water Dissociation on Ru(0001)
2个月前
已完结
Accelerating the calculation of electron–phonon coupling strength with machine learning
2个月前
已完结
Performing Path Integral Molecular Dynamics Using an Artificial Intelligence-Enhanced Molecular Simulation Framework
2个月前
已完结
Scalable, binder-free, ultrathin, and outdoor stable passive cooling paints engineered by cellulose-weaved topological scattering network
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