Lv3
344 积分 2025-03-26 加入
Molecular Potential Energy Surfaces by Interpolation
1天前
已完结
Statistical mechanics of isomerization dynamics in liquids and the transition state approximation
5天前
已完结
Overcoming barriers in trajectory space: Mechanism and kinetics of rare events via Wang–Landau enhanced transition path sampling
11天前
已完结
Activation energies in the grand canonical ensemble: Diffusion of methane in a zeolite
17天前
已完结
Microenvironment effects in electrochemical CO2 reduction from first-principles multiscale modelling
1个月前
已完结
Predictive model for the discovery of sinter-resistant supports for metallic nanoparticle catalysts by interpretable machine learning
1个月前
已完结
Sabatier principle of metal-support interaction for design of ultrastable metal nanocatalysts
1个月前
已完结
Tailored water–surface interactions on cobalt oxide for stable proton-exchange-membrane water electrolysis
2个月前
已完结
Band alignment of CoO(100)–water and CoO(111)–water interfaces accelerated by machine learning potentials
3个月前
已完结
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