AQEMIA

Research Scientist

• Design and lead large-scale simulation studies (e.g., relative and absolute binding free energy predictions).
• Evaluate and improve modelling protocols for reproducibility, accuracy, and efficiency.
• Serve as a mentor to junior scientists, promoting best practices in simulation and analysis.
• Contribute to cross-functional planning and the integration of simulations with experimental and AI-based insights.
• Stay at the forefront of developments in molecular simulations and suggest innovations to the team.
• Support the development and scaling of workflows that can serve multiple drug discovery projects.
• Work closely with the Research Team to implement improvements and updates to Aqemia’s proprietary binding free energy methods.

Senior Application Research Scientist

Manager

• Lead the multidisciplinary team responsible for developing methods to design novel, highly potent and synthesizable molecules.
• Leverage physics-based methods and state-of-the-art Machine Learning techniques to guide molecular design.
• Focus specifically on 3D structural constraints and target interactions.
• Define and execute the roadmap for developing structure-based AI generative models.
• Establish clear, measurable KPIs for synthesis success and novelty of generated molecules.

Senior Application Research Scientist

Molecular Generation Team Manager