11 citations · 16 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2021★ 11 cited
Multi-scale simulation of the adsorption of lithium ion on graphite surface: from Quantum Monte Carlo to Molecular Density Functional Theory
Michele Ruggeri, Kyle Reeves, Tzu-Yao Hsu +3
The structure of the double-layer formed at the surface of carbon electrodes is governed by the interactions between the electrode and the electrolyte species. However, carbon is n…
physics.chem-ph2021★ 5 cited
Assessing the correctness of pressure correction to solvation theories in the study of electron transfer reactions
Tzu-Yao Hsu, Guillaume Jeanmairet
Liquid states theories have emerged as a numerically efficient alternative to costly molecular dynamics simulations of electron transfer reactions in solution. In a recent paper [C…