AI for Materials Innovation: Self-Improving Photosensitizer Discovery System via Bayesian Search with First-Principles Simulation.

@inproceedings{liu-2024-ai, author = {Bin Liu}, editor = {Tat-Seng Chua and Chong-Wah Ngo and Ravi Kumar and Hady Wirawan Lauw and Roy Ka-Wei Lee}, title = {{AI for Materials Innovation: Self-Improving Photosensitizer Discovery System via Bayesian Search with First-Principles Simulation}}, booktitle = {{Proceedings of the ACM on Web Conference 2024, WWW 2024, Singapore, May 13-17, 2024}}, pages = {2}, publisher = {ACM}, year = {2024}, url = {https://doi.org/10.1145/3589334.3649115}, doi = {https://doi.org/10.1145/3589334.3649115} }