Process Development Engineer (M / F)

Nextmol is a spin-off company of the Barcelona Supercomputing Center, offering advanced services in Molecular Simulation and Artificial Intelligence applied to chemistry. We are developing a cutting-edge software platform designed to accelerate the design and discovery of new chemical compounds. Our mission is to support the chemical industry in its green and digital transition, by enabling a faster development of sustainable chemicals to achieve circular economy and climate neutrality, comply with regulatory framework, and meet current consumer demands.

Molecular Simulation

and

Artificial Intelligence

We are seeking an R&D Engineer with a strong background in Artificial Intelligence and a passion for applying these skills to computational chemistry. We expect candidates to be comfortable navigating interdisciplinary challenges, collaborating with chemists, physicists, and data scientists to bridge AI and molecular science, solve complex scientific problems, and deliver innovative solutions.

Generative Models

Investigate and apply state-of-the-art generative models for molecular design, with a particular focus on polymers and surfactants.

Integration

Collaborate with chemists and physicists to integrate AI into computational chemistry workflows. Develop scalable software solutions for chemical simulations and data analysis.

Education

PhD in Mathematics, Computer Science, Physics, Chemistry, or related field.

Proven experience in the development, optimization, and application of AI algorithms, especially in physical chemistry contexts. Generative AI applied to Chemistry.

Programming Skills

Proficiency in Python and common data science frameworks (e.g., Scikit-learn, PyTorch), with experience in version control using Git.

Experience with chemistry-related datasets and simulation tools (e.g. Motivation to meet project deadlines and promptly address customers’ needs.

Capacity to adjust to evolving project needs and dynamic research environments.

Communication

High level of English, both written and oral.

Contribute to cutting‑edge projects at the intersection of AI and molecular science.

Impact

Work on impactful industrial applications with real‑world relevance.

Join a dynamic, growing company with a collaborative team that values innovation, continuous learning, and personal development.

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