Research author
Philippe Schwaller
6 AI research papers in the One9Founders library, with summaries and links to original sources.
Papers by Philippe Schwaller
Sep 10, 2026
cs.LG
Dynamic language model representations for multi-objective reaction optimisation
Joshua W. Sin, David Ming Segura, Bojana Ranković, et al.
Aug 27, 2026
cs.AI
Mechanistic Reaction Prediction via Discrete Flow Matching on Graph-Structured Electron Occupation
Nguyen Xuan-Vu, Octavian Susanu, Daniel Armstrong, et al.
Aug 7, 2026
cs.MA
Strategy-first synthesis planning for complex natural products
Daniel Armstrong, Xuan-Vu Nguyen, Octavian Susanu, et al.
Aug 4, 2026
cs.LG
Bi-semantic Chemical Embedder for Joint Representation Learning of SMILES and Natural Language
David Ming Segura, Jeremy Goumaz, Joshua W. Sin, et al.
Jul 1, 2026
cs.AI
Agentic generation of verifiable rules for deterministic, self-expanding reaction classification
Daniel Armstrong, Maarten Dobbelaere, Valentas Olikauskas, et al.
Jun 17, 2026
cond-mat.mtrl-sci
AdsMind: A Physics-Grounded Multi-Agent System for Self-Correcting Discovery of Adsorption Configurations on Heterogeneous Catalyst Surfaces
Zongmin Zhang, Yuyang Lou, Bowen Zhang, et al.