Lv4
620 积分 2023-09-19 加入
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
9小时前
已完结
Understanding solid-state battery electrolytes using atomistic modelling and machine learning
13天前
已完结
The kinetic basis of bifunctional OX–ZEO catalysts for syngas conversion to light olefins
17天前
已完结
Co-catalytic metal–support interactions in single-atom electrocatalysts
2个月前
已完结
Materials design for bone-tissue engineering
2个月前
已完结
Origin of unique electronic structures of single-atom alloys unraveled by interpretable deep learning
3个月前
已完结
Approximating constant potential DFT with canonical DFT and electrostatic corrections
3个月前
已完结
Dynamic interfacial microenvironments in electrochemical CO2 reduction
3个月前
已完结
Using metadynamics to explore complex free-energy landscapes
3个月前
已完结
First-principles approaches and concepts to simulate electrochemical interfaces
5个月前
已完结
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