Application Scientist (Mesoscale / Coarse Grained Force Fields)

Application Scientist (Mesoscale / Coarse Grained Force Fields) ABOUT CUSPAI CuspAI is the frontier AI company on a mission to solve the breakthrough materials needed to power human progress. While nature took billions of years to perfect molecules, we are harnessing AI to unlock trillion-dollar materials breakthroughs in months, not millennia. Our founding team is the most cited in the world, comprised of world-class researchers in AI, chemistry and engineering. We are working on some of the hardest and most important challenges including energy, clean water, the future of compute, and carbon capture, and this is just the start of what our 'search engine' for next-generation materials will unlock. We invite you to be part of a diverse, innovative team at the intersection of AI and materials science, working to create impactful partnerships that drive innovation, scalability, and industry collaboration. This work matters. Your work matters. We’re on the cusp of the on-demand materials era. Join us. THE ROLE Due to expansion into a new area, we are seeking an Application Scientist (Mesoscale / Coarse-Grained Force Fields) to bridge the gap between our frontier AI models and real-world industrial materials challenges. YOUR IMPACT In this role you will be building the mesoscale simulation frameworks and coarse-grained force field methodologies that bridge molecular discovery with macroscopic material performance, which is critical for delivering actionable, high-impact breakthroughs for our global partners. Your main focus initially will be leading the technical delivery for 1-2 key client projects, acting as the subject matter expert in mesoscale phenomena. Over time, you will play a foundational role in scaling our ML platform’s capabilities from the atomic level to the larger-scale structures required for next-generation polymers, membranes, and complex fluids. WHAT YOU WILL DO Method Development & Research - Design and implement novel coarse-graining strategies to enable the simulation of large-scale material systems. - Develop and refine mesoscale force fields, specifically working with Martini 3 and related frameworks. - Collaborate with our AI Research team to integrate machine learning (ML) models into mesoscale simulation workflows. Partner Project Execution - Work closely with our early partners to understand their specific materials challenges and translate them into technical simulation requirements. - Execute high-fidelity Molecular Dynamics (MD) and mesoscale simulations to validate AI-driven material candidates. - Deliver technical reports and insights that demonstrate the value of CuspAI’s technology in solving partner-specific problems. Interdisciplinary Collaboration - Partner with the Particle Simulation ML team to explore overlaps between generative AI and particle-based modeling. - Act as the internal authority on mesoscale methods, providing guidance to AI researchers on physical constraints and realistic material behaviors. - Participate in cross-functional sprints to build out CuspAI's core infrastructure for multi-scale materials discovery. MUST HAVE SKILLS AND QUALIFICATIONS: - Deep expertise in parameterizing mesoscale coarse-grain force fields and working extensively with mesoscale methods (e.g. Martini 3). - Solid software engineering foundations with strong proficiency in Python and experience with MD simulation packages (e.g. GROMACS, LAMMPS). - A demonstrated background in both Machine Learning (ML) and Molecular Dynamics (MD), with the ability to navigate both disciplines comfortably. - Strong communication skills and the ability to work directly with external partners to define and deliver complex technical projects. - You are someone who gets excited about the opportunity to enable scientists to work on world-changing challenges in this domain, with a personal interest in the potential applications of the technology that Cusp is building. BONUS POINTS (BUT NOT CRITI ... (truncated, view full listing at source)