Philippe Schwaller

37PUBLICATIONS
187CO-AUTHORS
Biomolecular modelling and designSemi- and unsupervised learningCheminformatics and quantitative structure-activity relationshipsNatural language processingElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (37)

|Oct 14, 2026
Sample-efficient generative molecular design using memory manipulation.

|Sep 19, 2026
Large language models as uncertainty-calibrated optimizers for experimental discovery.

|Aug 10, 2026
Robust out-of-distribution prediction of Buchwald-Hartwig reactions.

|Jun 19, 2026
Fine-tuning large language models to generate single-atom catalyst synthesis procedures.

|Jun 11, 2026
From Microcurrents to Macrodynamics: Harnessing Mixed Potentials for Large, Tunable Acceleration of Belousov-Zhabotinsky Oscillations.

|May 23, 2026
Strong Dipole-Dipole Interaction Promotes Electrocatalytic Acetylene Semihydrogenation over Symmetric Organo-Electrocatalysts.

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Frequent Collaborators

6 joint publications

Junwu Chen

4 joint publications

Alain Vaucher

4 joint publications

Jean-Louis Reymond

3 joint publications

Joppe Geluykens