Computational chemistry platform for sustainable polymer design
NEXTMOL Lab is a computational chemistry platform enabling virtual design and testing of sustainable polymers, reducing development costs by 9x and time by 5x. It uses molecular modeling and machine learning for applications in personal care, coatings, and more.
Overview
NEXTMOL Lab is an advanced software platform developed by NEXTMOL, a deeptech startup spun off from the Barcelona Supercomputing Center. The platform facilitates the design and virtual testing of chemical compounds, particularly sustainable polymers and surfactants, before they undergo physical synthesis. This approach significantly accelerates the development process, reducing both costs and time investments by substantial margins—9x and 5x, respectively. The platform is versatile, addressing needs in various industries including personal care, home care, coatings, plastic additives, functional fluids, and agrichemicals.
Technical specifications
NEXTMOL Lab leverages cutting-edge molecular modeling and machine learning technologies to simulate and characterize complex chemical systems consisting of millions of atoms. Its capabilities include:
- Modeling of cationic polymers and their interactions with surfaces such as fabrics, skin, and hair.
- Construction and characterization of homopolymers and copolymers for properties like glass transition temperature, solubility, and viscosity.
- Specialization in bio-based polymers such as polysaccharides and polylactic acids.
- High-throughput screening to identify optimal polymer candidates efficiently.
Technology readiness level
The technology is currently at a readiness level of 5, indicating that it has been validated in relevant environments but requires further development and testing for full commercial deployment. NEXTMOL is prepared to collaborate with consumer-goods and formulation partners to develop detailed work plans for in silico design and characterization tailored to specific needs.
About NEXTMOL
Nextmol, also known as Bytelab Solutions SL, is a Barcelona-based computational chemistry company founded in 2019 as a spin-off from the Barcelona Supercomputing Center. The company specializes in the development of advanced digital tools that integrate molecular modeling, artificial intelligence, and high-performance computing to accelerate chemical research and development. Their core offering is the NEXTMOL Lab, a Software-as-a-Service (SaaS) platform designed for chemists who may not have extensive computational expertise. The platform enables users to perform in silico testing by simulating and characterizing chemical compounds—specifically polymers and surfactants—directly on a computer. By leveraging machine learning algorithms, the platform can predict physico-chemical properties, identify structure-activity relationships, and map chemical space, allowing companies to screen and optimize new formulations before physical synthesis.
By enabling this digital transition, Nextmol aims to help the chemical industry shorten development cycles, reduce R&D costs, and decrease reliance on traditional, labor-intensive experimental methods. Their solutions support the creation of sustainable, high-performing chemicals by facilitating the design of bio-based materials and optimizing additive performance for various sectors, including home and personal care, paints, coatings, and lubricants. The company provides both software access and tailored R&D services to multinational clients, helping them meet regulatory requirements and climate neutrality goals. Nextmol maintains high standards for security, with its lab platform being ISO 27001:2022 certified, and it has been recognized with numerous industry awards and research grants for its contributions to digital chemical innovation.
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