Big Chemistry is a consortium of five Dutch knowledge institutes, which use AI and autonomous labs (ALs) to accelerate the development of formulations in industry. Our objective is to develop predictive models based on excellent science for industrial use, and to facilitate the development of new, sustainable formulations in an efficient way.
SDL simulator for the surface tension experiment that demonstrates autonomous discovery of target surface tension.
Python 1
A Gaussian Process library for efficient phase diagram mapping using active learning and transfer learning. Intelligently select sampling points and leverage knowledge from related systems to minimize expensive simulations and experiments.
Extraction of a solubility database in solvent mixtures with an uncertainty-quantified large language model-based pipeline
A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensemble for prediction of pCMC, air-water surface tension and more.
SDL simulator for the surface tension experiment that demonstrates autonomous discovery of target surface tension.
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