Learning feedback control strategies for quantum metrology A Fallani, MAC Rossi, D Tamascelli, MG Genoni PRX Quantum 3 (2), 020310, 2022 | 43 | 2022 |
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules L Medrano Sandonas, D Van Rompaey, A Fallani, M Hilfiker, D Hahn, ... Scientific Data 11 (1), 742, 2024 | 11 | 2024 |
Inverse mapping of quantum properties to structures for chemical space of small organic molecules A Fallani, L Medrano Sandonas, A Tkatchenko Nature Communications 15 (1), 6061, 2024 | 7* | 2024 |
Pretraining Graph Transformers with Atom-in-a-Molecule Quantum Properties for Improved ADMET Modeling A Fallani, R Nugmanov, J Arjona-Medina, JK Wegner, A Tkatchenko, ... arXiv preprint arXiv:2410.08024, 2024 | | 2024 |
Atom-Level Quantum Pretraining Enhances the Spectral Perception of Molecular Graphs in Graphormer A Fallani, J Arjona-Medina, K Chernichenko, R Nugmanov, JK Wegner, ... International Workshop on AI in Drug Discovery, 71-81, 2024 | | 2024 |
Modeling noncovalent interatomic interactions on a photonic quantum computer M Sarkis, A Fallani, A Tkatchenko Physical Review Research 5 (4), 043072, 2023 | | 2023 |
Towards the inverse design of molecules with targeted quantum-mechanical properties A Fallani, L Medrano Sandonas, K Han, A Tkatchenko APS March Meeting Abstracts 2022, T49. 013, 2022 | | 2022 |