3 papers
cond-mat.mtrl-sci2025
Accelerating Combinatorial Electrocatalyst Discovery with Bayesian Optimization: A Case Study in the Quaternary System Ni-Pd-Pt-Ru for the Oxygen Evolution Reaction
F. Thelen, R. Zehl, R. Zerdoumi +4
The discovery of high-performance electrocatalysts is crucial for advancing sustainable energy technologies. Compositionally complex solid solutions comprising multiple metals offe…
cond-mat.mtrl-sci2025
Computationally accelerated experimental materials characterization -- drawing inspiration from high-throughput simulation workflows
Markus Stricker, Lars Banko, Nik Sarazin +5
Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior.…
cond-mat.mtrl-sci2024
Composition-property extrapolation for compositionally complex solid solutions based on word embeddings
Lei Zhang, Lars Banko, Wolfgang Schuhmann +2
Mastering the challenge of predicting properties of unknown materials with multiple principal elements (high entropy alloys/compositionally complex solid solutions) is crucial for…