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cond-mat.mtrl-sci2025
Simulating charging characteristics of lithium iron phosphate by electro-ionic optimization on a quantum annealer
Tobias Binninger, Yin-Ying Ting, Konstantin Köster +4
The rapid evolution of quantum computing hardware opens up new avenues in the simulation of energy materials. Today's quantum annealers are able to tackle complex combinatorial opt…
cond-mat.mtrl-sci2025
Theory of Electro-Ionic Perturbations at Supported Electrocatalyst Nanoparticles
Yufan Zhang, Tobias Binninger, Jun Huang +1
Nanoscopic heterogeneities in composition and structure are quintessential for the properties of electrocatalyst materials. Here, we present a semiclassical model to study the elec…
cond-mat.mtrl-sci2024
Optimization of ionic configurations in battery materials by quantum annealing
Tobias Binninger, Yin-Ying Ting, Piotr M. Kowalski +1
Energy materials with disorder in site occupation are challenging for computational studies due to an exponential scaling of the configuration space. We herein present a grand-cano…