Lv22
158 积分 2023-07-12 加入
Developing machine learning for heterogeneous catalysis with experimental and computational data
3小时前
待确认
Practical rule for trimming the DFT-1/2 self-interaction: Band gap, absolute band alignment, and defect properties of semiconductors
1天前
求助中
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
17天前
已完结
Compressive strain in Cu catalysts: Enhancing generation of C2+ products in electrochemical CO2 reduction
2个月前
已完结
General reactive element-based machine learning potentials for heterogeneous catalysis
3个月前
已完结
Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles
4个月前
已完结
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
4个月前
已完结
Pyridine synthesis from tetrahydrofurfuryl alcohol over a Pd/γ-Al2O3 catalyst
4个月前
已完结
Hydrogenation of carbon dioxide and carbon monoxide over supported rhodium catalysts under 10 bar pressure
4个月前
已完结
Catalysis mechanisms of CO2 and CO methanation
4个月前
已完结
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