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Journal Articles
- 2023
[j2]Sergio Pablo-García
, Santiago Morandi, Rodrigo A. Vargas-Hernández, Kjell Jorner, Zarko Ivkovic, Núria López, Alán Aspuru-Guzik:
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks. Nat. Comput. Sci. 3(5): 433-442 (2023)- 2022
- [j1]Yang Cao, Cher Tian Ser, Marta Skreta, Kjell Jorner, Nathanael Kusanda, Alán Aspuru-Guzik:
Reinforcement learning supercharges redox flow batteries. Nat. Mach. Intell. 4(8): 667-668 (2022)
Conference and Workshop Papers
- 2023
- [c1]AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik:
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design. NeurIPS 2023
Informal and Other Publications
- 2022
- [i1]AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik:
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design. CoRR abs/2209.12487 (2022)
Coauthor Index
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