2 citations · 2 across the 3 of their papers we have counts for
3 papers
Differentiable Solvation Shell Model for Rational Electrolyte Design
Hancheng Zhao, Hongyi Lin, Celia Kelly +1
Tailoring Li+ solvation structures has emerged as a promising design principle across multiple Li metal battery (LMB) electrolytes, with localized high concentration electrolytes (…
Foundation Models for Discovery and Exploration in Chemical Space
Alexius Wadell, Anoushka Bhutani, Victor Azumah +26
Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches…
Excess Density as a Descriptor for Electrolyte Solvent Design
Celia Kelly, Emil Annevelink, Adarsh Dave +1
Electrolytes mediate interactions between the cathode and anode and determine performance characteristics of batteries. Mixtures of multiple solvents are often used in electrolytes…