THE COMPUTATIONAL LABORATORY FOR THE NEXT GENERATION SUSTAINABLE CHEMICALS AND DIGITAL TRANSITION

Description du projet

Accélérer la révolution de la chimie verte

Le développement de nouveaux produits chimiques durables est essentiel pour la transition écologique de l’Europe. Cependant, les tests traditionnels en laboratoire sont inefficaces. La création de nouveaux matériaux peut prendre plus d’une décennie d’essais et d’erreurs. La solution est numérique. Le projet NEXTBIOMOL, financé par le CEI, vise à transformer la manière dont les produits chimiques sont conçus. Sa plateforme NEXTMOL Lab combine la modélisation moléculaire, l’apprentissage automatique et le calcul à haute performance pour tester virtuellement des milliers de molécules. Ce processus permet de multiplier par cinq la vitesse de développement tout en réduisant les coûts. NEXTBIOMOL concevra ces outils numériques afin de créer des matériaux plus écologiques pour l’énergie, l’électronique et la construction, favorisant ainsi un avenir industriel plus rapide et plus propre.

Objectif

Bytelab Solutions S.L. (Bytelab) is a B2B deep tech startup specialising in computational chemistry. We develop digital solutions to accelerate the R&D of sustainable Specialty Chemicals via in silico experiments using molecular modelling and machine learning uniquely combined in our NEXTMOL Lab SaaS platform. Our mission is to help the chemical industry in its green and digital transition by enabling faster development of sustainable chemicals. Bytelab is a spin-off of the Barcelona Supercomputing Center, one of the largest High-Performance Computing (HPC) facilities in Europe.
Chemicals have been designed mainly using experimental techniques. This trial-and-error approach is inefficient and, on average, takes more than 14 years. NEXTMOL Lab is a computational lab that allows us to characterise molecules directly on the computer, reducing up to x9 the cost and x5 the time of developing a new chemical or material.
We specialise in polymer and surfactant chemistries, which are present in many applications in personal care, home care, coatings, paints, packaging or engineering fluids, to name just a few, and in particular, in many materials for energy, electronics and construction applications.
Bytelab’s simulations investigate the behaviour of molecular systems at the atomistic level and calculate their physicochemical properties. Thanks to our HPC capabilities, we are able to characterise very large and complex formulations. These simulations are enhanced by data-driven methodologies, which allow to prioritize molecules, predict properties very fast, and generate new molecules. This facilitates the rapid analysis of thousands of potential new candidate molecules, predicting and ranking their performance. During the NEXTBIOMOL project, we will focus on further developing our SaaS platform and widening the portfolio of possible applications in strategic materials for energy, electronics and construction.