93 citations · 256 across the 6 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cond-mat.mtrl-sci2023
Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH) in THF
Ana Sanz Matias, Fabrice Roncoroni, Siddharth Sundararaman +1
Divalent ions, such as Mg, Ca, and Zn, are being considered as competitive, safe, and earth-abundant alternatives to Li-ion electrochemistry. However, the challenge remains to matc…
cond-mat.mtrl-sci2023★ 13 cited
Unsupervised learning of representative local atomic arrangements in molecular dynamics data
Fabrice Roncoroni, Ana Sanz-Matias, Siddharth Sundararaman +1
Molecular dynamics (MD) simulations present a data-mining challenge, given that they can generate a considerable amount of data but often rely on limited or biased human interpreta…