Lv1
30 积分 2025-09-30 加入
Dual-Descriptor-Guided Screening of Stable Metal-Doped RuO2 Catalysts for Acidic Oxygen Evolution
6个月前
已完结
Breaking the Brønsted–Evans–Polanyi relationship in N2 adsorption driven by potential-dependent repositioning of frontier orbitals: a sweet marriage of machine learning-assisted screening and the electric double-layer effect
9个月前
已关闭
π-π Conjugated g-C16N19 Skeleton-Supported Single-Atom Catalyst for Nitrogen Reduction Reaction: A “Lock and Key” Coevaluation of Activity and Selectivity Involved in Constant Potential and pH Effect
10个月前
已关闭
Reaction Sampling and Reactivity Prediction Using Stochastic Surface Walking Method
11个月前
已完结
Stochastic Surface Walking Method for Crystal Structure and Phase Transition Pathway Prediction
11个月前
已完结
Stochastic Surface Walking Method for Structure Prediction and Pathway Searching
11个月前
已完结
Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration
11个月前
已完结
Recent Implementations in LASP 3.0: Global Neural Network Potential with Multiple Elements and Better Long-Range Description
11个月前
已完结
LASP: Fast Global Potential Energy Surface Exploration
11个月前
已完结
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