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

Descripción del proyecto

Acelerar la revolución de la química verde

El desarrollo de nuevos productos químicos sostenibles es vital para la transición ecológica de Europa. Sin embargo, las pruebas de laboratorio tradicionales son ineficaces. Crear nuevos materiales puede llevar más de una década de ensayo y error. La solución es digital. El proyecto NEXTBIOMOL, financiado por el Consejo Europeo de Innovación, pretende transformar la forma en que se diseñan los productos químicos. Su plataforma NEXTMOL Lab combina la modelización molecular, el aprendizaje automático y la informática de alto rendimiento para probar miles de moléculas virtualmente. Así se quintuplica la velocidad de desarrollo y se reducen los costes. De este modo, NEXTBIOMOL ampliará estas herramientas digitales para crear materiales más ecológicos para la energía, la electrónica y la construcción, impulsando un futuro industrial más rápido y limpio.

Objetivo

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.