Founding AI Engineer

As a Founding AI Engineer at Novyte Materials, you will play a crucial role in designing and developing the core intelligence layer of the platform. Your responsibilities include: - Architecting generative, predictive, and physics-aware ML models that operate across multimodal scientific data such as graphs, crystal structures, text, spectra, simulations, and high-dimensional descriptors. - Building physics-aware representation learning systems. - Developing active learning and RL-based exploration loops. - Creating scalable training pipelines and distributed training workflows. - Integrating ML models with first-principles simulation and scientific data. - Defining foundational research practices, abstractions, and model standards. - Working cross-functionally with computational chemists, platform engineers, and research partners. This is not your routine AIML job. You will be working in a frontier scientific domain with deep ambiguity, high complexity, and massive real-world impact. Qualifications: Required: - Strong experience with PyTorch or JAX. - Expertise in graph learning, geometric deep learning, or multimodal ML. - Experience with RL, active learning, or uncertainty-aware modeling. - Strong engineering fundamentals including clean abstractions, reproducibility, and systematic debugging. - Experience working with noisy, sparse, or non-standard scientific datasets. - Ability to read research papers, build prototypes quickly, and reason from first principles. - Interest in ML for scientific domains, not generic applied ML. Bonus: - Experience with diffusion models, flow matching, or generative modeling. - Knowledge of materials science, physics-informed ML, or simulation-integrated ML. - Familiarity with HPC, large-scale training, or hybrid compute workflows. - Research publications or open-source contributions. - Prior startup or founding experience. At Novyte, you will have the opportunity to: - Define core IP at a founding level. - Build the intelligence core of a scientific discovery engine. - Engage in deep, technical work with clear milestones and real-world validation. - Work in a research-driven environment with full autonomy over modeling direction. - Make a direct impact as your models inform real lab experiments within months. Location: Mumbai/Bangalore,