4 citations · 6 across the 3 of their papers we have counts for
3 papers
Cyber Catalysis: N Dissociation over Ruthenium Catalyst with Strong Metal-Support Interaction
Gerardo Valadez Huerta, Kaoru Hisama, Katsutoshi Sato +2
Catalysis informatics is constantly developing, and significant advances in data mining, molecular simulation, and automation for computational design and high-throughput experimen…
Calculations of Real-System Nanoparticles Using Universal Neural Network Potential PFP
Gerardo Valadez Huerta, Yusuke Nanba, Iori Kurata +4
It is essential to explore the stability and activity of real-system nanoparticles theoretically. While applications of theoretical methods for this purpose can be found in literat…
First-principles study of the stability of bimetallic PdPt nanoparticles under a finite temperature
Takayoshi Ishimoto, Michihisa Koyama
To understand the vibrational and configurational entropy effects for the stability of core-shell and solid-solution bimetallic nanoparticles, we theoretically investigated the exc…