Research
Under review
MIT — Gómez-Bombarelli Group · 2025
Bayesian Optimization for Biochemical Discovery with LLMs
We combined large language models with Bayesian optimization loops for accelerated biochemical property prediction and molecular design, probing the limits of LLMs in chemical discovery.
Bayesian Optimization · LLMs · Drug Discovery
Ongoing
Politecnico di Torino — Pavan Group · 2023
Multiscale Modelling of Supramolecular Assemblies of Light-Driven Molecular Motors
We modeled the behaviour of light-driven molecular motors in supramolecular assemblies using molecular dynamics, metadynamics, and coarse-graining.
Molecular Dynamics · Metadynamics · Coarse Graining · Molecular Motors
Unpublished
University of Cambridge — Knowles Group · 2021
Probing amyloid-ion binding with microfluidics and Physics-informed NN
Measured the binding of divalent cations to alpha-synuclein monomers using microfluidic electrophoresis and worked on a physics-informed neural networks for accellerated fitting of reaction kinetics.
Microfluidics · Machine Learning · Amyloid · Biophysics
Gold medal
Lund University · 2021
iGEM: Mathematical modelling of curli-producing bacteria
We modeled the production of curli biofilms in curli-producing bacteria and probed the effect of various drug candidates. iGEM competition entry.
iGEM · Amyloid · Mathematical Modelling
Gold medal
Lund University · 2021
iGEM: Generating anti-oomycete peptides with ensemble models
We developed an ensemble model for anti-oomycete peptide classification and a genetic algorithm for de-novo peptide design. iGEM competition entry.
iGEM · Synthetic Biology · Machine Learning