Research scientistBasel, Switzerland
Machine learning
for molecular
structure.
I develop machine-learning methods to understand molecular materials and support pharmaceutical development.
Roche · PhD in Materials Science, EPFL
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Questions that connect the work
02 / Research areas01 / ML potentials
How can we model atomic interactions?
02 / Structure–property learningWhat does structure tell us about properties?
03 / Crystal structure predictionWhich molecular packings matter?
04 / Analytical embeddingsCan measurements learn a common language?
05 / AI for preformulationHow can we connect evidence to experiments?
12 publications · 1,123 citationsGoogle Scholar · verified 2026-07-26 ↗
Working on a related question?
I welcome conversations about atomistic machine learning, molecular crystals and scientific software.
hello@andreanelli.com ↗