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.

Key Responsibilities

• AI algorithms : Design, implement, and optimize AI algorithms, particularly in the domain of physical chemistry.
• 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. Translate domain-specific requirements into AI model design and vice versa.
• Scalability : Develop scalable software solutions for chemical simulations and data analysis.
• Documentation : Ensure proper documentation of algorithms and workflows for reproducibility and scalability.

Qualifications

Technical Qualifications

• Education : PhD in Mathematics, Computer Science, Physics, Chemistry, or related field.
• AI Expertise : Proven experience in the development, optimization and application of AI algorithms, especially in physical chemistry contexts. Deep understanding of the mathematical and algorithmic foundations.
• Generative AI applied to Chemistry : Strong theoretical and practical expertise in Generative AI, with demonstrated experience applying these techniques to molecular property prediction, structure generation, or reaction modeling.
• Programming Skills : Proficiency in Python and common data science frameworks (e.g., Scikit-learn, PyTorch), with experience in version control using Git.
• Scientific Computing : Familiarity with scientific computing and numerical methods.
• Domain Knowledge : Experience with chemistry-related datasets and simulation tools (e.g. GROMACS) is a plus.

Soft Skills & Professional Attributes

• Problem-Solving : Ability to learn new topics quickly and solve complex problems.
• Engagement : Motivation to meet project deadlines and promptly address customers’ needs.
• Adaptability : Capacity to adjust to evolving project needs and dynamic research environments.
• Collaboration : Effective team player with experience working in interdisciplinary environments.
• Communication : High level of English, both written and oral.

Why Join Us?

• Innovation : Contribute to cutting-edge projects at the intersection of AI and molecular science.
• Impact : Work on impactful industrial applications with real-world relevance.
• Growth & Culture : Join a dynamic, growing company with a collaborative team that values innovation, continuous learning, and personal development.

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