1. Bayesian optimization with known experimental and design constraints for chemistry applications. (27th September 2022) Authors: Hickman, Riley J.; Aldeghi, Matteo; Häse, Florian; Aspuru-Guzik, Alán Journal: Digital discovery Issue: Volume 1:Number 5(2022) Page Start: 732 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Beyond Ternary OPV: High‐Throughput Experimentation and Self‐Driving Laboratories Optimize Multicomponent Systems. Issue 14 (12th February 2020) Authors: Langner, Stefan; Häse, Florian; Perea, José Darío; Stubhan, Tobias; Hauch, Jens; Roch, Loïc M.; Heumueller, Thomas; Aspuru‐Guzik, Alán; Brabec, Christoph J. Journal: Advanced materials Issue: Volume 32:Issue 14(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories. Issue 39 (28th August 2018) Authors: Häse, Florian; Roch, Loïc M.; Aspuru-Guzik, Alán Journal: Chemical science Issue: Volume 9:Issue 39(2018) Page Start: 7642 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Film Fabrication Techniques: Beyond Ternary OPV: High‐Throughput Experimentation and Self‐Driving Laboratories Optimize Multicomponent Systems (Adv. Mater. 14/2020). Issue 14 (7th April 2020) Authors: Langner, Stefan; Häse, Florian; Perea, José Darío; Stubhan, Tobias; Hauch, Jens; Roch, Loïc M.; Heumueller, Thomas; Aspuru‐Guzik, Alán; Brabec, Christoph J. Journal: Advanced materials Issue: Volume 32:Issue 14(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Golem: an algorithm for robust experiment and process optimization. Issue 44 (29th October 2021) Authors: Aldeghi, Matteo; Häse, Florian; Hickman, Riley J.; Tamblyn, Isaac; Aspuru-Guzik, Alán Journal: Chemical science Issue: Volume 12:Issue 44(2021) Page Start: 14792 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. How machine learning can assist the interpretation of ab initio molecular dynamics simulations and conceptual understanding of chemistry. Issue 8 (10th January 2019) Authors: Häse, Florian; Fdez. Galván, Ignacio; Aspuru-Guzik, Alán; Lindh, Roland; Vacher, Morgane Journal: Chemical science Issue: Volume 10:Issue 8(2019) Page Start: 2298 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Machine learning exciton dynamics. Issue 8 (27th April 2016) Authors: Häse, Florian; Valleau, Stéphanie; Pyzer-Knapp, Edward; Aspuru-Guzik, Alán Journal: Chemical science Issue: Volume 7:Issue 8(2016:Aug.) Page Start: 5139 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Machine learning for quantum dynamics: deep learning of excitation energy transfer properties. Issue 12 (30th October 2017) Authors: Häse, Florian; Kreisbeck, Christoph; Aspuru-Guzik, Alán Journal: Chemical science Issue: Volume 8:Issue 12(2017) Page Start: 8419 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Olympus: a benchmarking framework for noisy optimization and experiment planning. Issue 3 (12th July 2021) Authors: Häse, Florian; Aldeghi, Matteo; Hickman, Riley J; Roch, Loïc M; Christensen, Melodie; Liles, Elena; Hein, Jason E; Aspuru-Guzik, Alán Journal: Machine learning: science and technology Issue: Volume 2:Issue 3(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation. Issue 4 (28th October 2020) Authors: Krenn, Mario; Häse, Florian; Nigam, AkshatKumar; Friederich, Pascal; Aspuru-Guzik, Alan Journal: Machine learning: science and technology Issue: Volume 1:Issue 4(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗