Publications de Oliver Tobias Schilter

Integrating AI across the Chemistry Discovery Cycle: Advancing Sustainable Chemistry through Digital Methods

The chemical industry faces mounting pressure to develop more sustainable processes while accelerating innovation to address climate challenges. Traditional discovery approaches in chemistry follow an iterative cycle: forming hypotheses about new molecules ...

EPFL2025

Balancing computational chemistry's potential with its environmental impact

Philippe Schwaller, Oliver Tobias Schilter

Computational chemistry techniques offer tremendous potential for accelerating the discovery of sustainable chemical processes and reactions. However, the environmental impacts of the substantial computing power required for these digital methods are often ...

ROYAL SOC CHEMISTRY2024

Augmenting large language models with chemistry tools

Philippe Schwaller, Oliver Tobias Schilter, Andres Camilo Marulanda Bran, Carlo Baldassari

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

The Role of AI in Driving the Sustainability of the Chemical Industry

Oliver Tobias Schilter

Sustainability is here to stay. As businesses migrate away from fossil fuels and toward renewable sources, chemistry will play a crucial role in bringing the economy to a point of net-zero emissions. In fact, chemistry has always been at the forefront of d ...

2023