Data-driven strategies for accelerated materials design R Pollice, G dos Passos Gomes, M Aldeghi, RJ Hickman, M Krenn, ... Accounts of Chemical Research 54 (4), 849-860, 2021 | 258 | 2021 |
Autonomous chemical experiments: Challenges and perspectives on establishing a self-driving lab M Seifrid, R Pollice, A Aguilar-Granda, Z Morgan Chan, K Hotta, CT Ser, ... Accounts of Chemical Research 55 (17), 2454-2466, 2022 | 104 | 2022 |
Prediction of corrosion inhibition efficiency of pyridines and quinolines on an iron surface using machine learning-powered quantitative structure-property relationships CT Ser, P Žuvela, MW Wong Applied Surface Science 512, 145612, 2020 | 97 | 2020 |
Iodoimidazolinium-catalyzed reduction of quinoline by Hantzsch ester: Halogen bond or Brønsted acid catalysis CT Ser, H Yang, MW Wong The Journal of Organic Chemistry 84 (16), 10338-10348, 2019 | 29 | 2019 |
Delocalized, asynchronous, closed-loop discovery of organic laser emitters F Strieth-Kalthoff, H Hao, V Rathore, J Derasp, T Gaudin, NH Angello, ... Science 384 (6697), eadk9227, 2024 | 10 | 2024 |
Modeling halogen bonding with planewave density functional theory: Accuracy and challenges SJ Ang, CT Ser, MW Wong Journal of Computational Chemistry 40 (20), 1829-1835, 2019 | 9 | 2019 |
Designing piezoresistive materials from first-principles: Dopant effects on 3C-SiC CT Ser, AM Mak, T Wejrzanowski, TL Tan Computational Materials Science 186, 110040, 2021 | 7 | 2021 |
Reinforcement learning supercharges redox flow batteries Y Cao, CT Ser, M Skreta, K Jorner, N Kusanda, A Aspuru-Guzik Nature Machine Intelligence 4 (8), 667-668, 2022 | 5 | 2022 |
Uncovering compounds with promising piezoresistive properties via high-throughput first-principles survey CT Ser, TL Tan Materials Today Communications 34, 105240, 2023 | 1 | 2023 |
Efficient Evolutionary Search Over Chemical Space with Large Language Models H Wang, M Skreta, CT Ser, W Gao, L Kong, F Streith-Kalthoff, C Duan, ... arXiv preprint arXiv:2406.16976, 2024 | | 2024 |
Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet–Triplet Gap Molecules D Valverde*, CT Ser*, G Ricci, K Jorner, R Pollice, A Aspuru-Guzik, ... ACS Applied Materials & Interfaces, 2024 | | 2024 |