Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Vinchurkar, Tirtha"'
Adsorption energy is a key reactivity descriptor in catalysis, enabling the efficient screening of potential catalysts. However, determining adsorption energy involves comparing the energies of multiple adsorbate-catalyst configurations, which is com
Externí odkaz:
http://arxiv.org/abs/2410.16658
The increasing popularity of machine learning (ML) in catalysis has spurred interest in leveraging these techniques to enhance catalyst design. Our study aims to bridge the gap between physics-based studies and data-driven methodologies by integratin
Externí odkaz:
http://arxiv.org/abs/2405.20397