@article{auguraflexibleandefficientoptimization, title = {AUGUR, A flexible and efficient optimization algorithm for identification of optimal adsorption sites}, author = {Ioannis Kouroudis and Poonam and Neel Misciaci and Felix Mayr and Leon Müller and Zhaosu Gu and Alessio Gagliardi}, year = {2024}, eprint = {2409.16204}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2409.16204v1}, }