Computational Chemistry

In-silico (quantum/computational) chemical simulations have not been used on alchemical texts to date.

Together with my colleague Guillermo Restrepo, I currently explore the in silico replication of alchemical recipes. Using large language models and other computational tools, which are integrated into a larger workflow, we simulate the chemical reactions described in alchemical recipes deriving from large recipe collections. This allows us to model the reactions that may have occurred, thereby making this body of practical knowledge more accessible and chemically tangible.

Image credit: Daniel Grohmann (Wikimedia Commons).