How to do impactful research in artificial intelligence for chemistry and materials science. - Austin H. Cheng; Cher Tian Ser; Marta Skreta; Andrés Guzmán-Cordero; Luca A. Thiede; Andreas Burger; Abdulrahman Aldossary; Shi Xuan Leong; Sergio Pablo-García; Felix Strieth-Kalthoff; Alán Aspuru-Guzik (CoRR, 2024)

One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions. - Stefan P. Schmid; Ella M. Rajaonson; Cher Tian Ser; Mohammad Haddadnia; Shi Xuan Leong; Alán Aspuru-Guzik; Agustinus Kristiadi; Kjell Jorner; Felix Strieth-Kalthoff (CoRR, 2025)

El Agente: An Autonomous Agent for Quantum Chemistry. - Yunheng Zou; Austin H. Cheng; Abdulrahman Aldossary; Jiaru Bai; Shi Xuan Leong; Jorge A. Campos Gonzalez Angulo; Changhyeok Choi; Cher Tian Ser; Gary Tom; Andrew Wang; Zijian Zhang; Ilya Yakavets; et al. (CoRR, 2025)