Oliver Schilter

Augmenting large language models with chemistry tools

Andres M. Bran, Sam Cox, Oliver Schilter et al. · Nature Machine Intelligence · 2024 · 452 citations · Full text

Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions

Oliver Schilter, Alain C. Vaucher, Philippe Schwaller et al. · Digital Discovery · 2023 · 39 citations · Full text

Accelerating material design with the generative toolkit for scientific discovery

Matteo Manica, Jannis Born, Joris Cadow et al. · npj Computational Materials · 2023 · 33 citations · Full text

Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes

Oliver Schilter, Daniel Pacheco Gutiérrez, Linnea M. Folkmann et al. · Chemical Science · 2024 · 23 citations · Full text

Balancing computational chemistry's potential with its environmental impact

Oliver Schilter, Philippe Schwaller, Teodoro Laino · Green Chemistry · 2024 · 16 citations · Full text