2 papers
cond-mat.mtrl-sci2025
Advancing our Understanding of Optoionic Effects for the Design of Solar Batteries: A Theoretical Perspective
Matteo Rinaldi, Matthias Kick, Karsten Reuter +1
Optoionics, a promising new field that aims at controlling ion dynamics using light, links photovoltaic power generation with electrochemical charge storage. This has the potential…
cond-mat.mtrl-sci2024
Charge-constrained Atomic Cluster Expansion
Matteo Rinaldi, Anton Bochkarev, Yury Lysogorskiy +1
The atomic cluster expansion (ACE) efficiently parameterizes complex energy surfaces of pure elements and alloys. Due to the local nature of the many-body basis, ACE is inherently…