BR
Bojana Ranković
cs.LGcond-mat.mtrl-scics.AIphysics.chem-phBayesian optimizationCheminformaticsComputational methodsMachine learningReaction optimization
On Valency
published · living versionsW_qjnbn88u·v1 · currentpublished
Dynamic language model representations for multi-objective reaction optimisation
with Joshua W. Sin, David Ming Segura, Siu Lun Chau, Marius D. R. Lutz +6
1 version
Preprints & journals
10 papers in the corpus · 2022–2026Dynamic language model representations for multi-objective reaction optimisation2609.11790v1 · Joshua W. Sin, David Ming Segura, Bojana Rankovi'c et al.2026 · 0 citationsarXivon Valency
Bi-semantic Chemical Embedder for Joint Representation Learning of SMILES and Natural Language2608.03855v2 · David Ming Segura, Jeremy Goumaz, Joshua W. Sin et al.2026 · 0 citationsarXiv
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry2605.03205v1 · Aritra Roy, Kevin Shen, Andrew MacBride et al.2026 · 1 citationarXiv
Large language models as uncertainty-calibrated optimizers for experimental discovery.42761044 · Ranković, Bojana, Griffiths, Ryan-Rhys, Schwaller, Philippe2026 · 6 citationsNature machine intelligence. 2026;8(9):1466-1477
Bayesian Optimization Hackathon for Chemistry and Materials10.26434/chemrxiv-2025-dzh5z · Sterling Baird, Mehrad Ansari, Zartashia Afzal et al.2025 · 1 citationChemRxiv
A Holistic Data-Driven Approach to Synthesis Predictions of Colloidal Nanocrystal Shapes.39916674 · Zaza, Ludovic, Ranković, Bojana, Schwaller, Philippe et al.2025 · 15 citationsJournal of the American Chemical Society. 2025;147(7):6116-6125
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.38013906 · Jablonka, Kevin Maik, Ai, Qianxiang, Al-Feghali, Alexander et al.2026 · 221 citationsDigital discovery. 2023;2(5):1233-1250
Bayesian Optimization for Chemical Reactions.38047851 · Guo, Jeff, Ranković, Bojana, Schwaller, Philippe2023 · 68 citationsChimia. 2023;77(1-2):31-38
Bayesian optimisation for additive screening and yieldimprovements in chemical reactions – beyond one-hot encoding10.26434/chemrxiv-2022-nll2j-v3 · Bojana Ranković, Ryan-Rhys Griffiths, Henry B. Moss et al.2022 · 3 citationsChemRxiv
GAUCHE: A Library for Gaussian Processes in Chemistry2212.04450v2 · Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss et al.2022 · 29 citationsarXiv
Career total: 21 works. 10 are in this corpus.
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