Senior Scientist - Materials Science Software, Hyderabad

Schrödinger, a science and technology leader with over 35 years of experience providing solutions for atomic-scale modeling and physics-based chemical simulations, is seeking a materials science developer to build advanced software tools and automated workflows for molecular reactivity and homogeneous catalysis.

We are seeking a scientific developer with a PhD (or Master’s degree with 5+ years of relevant experience) in Materials Science, Computational Chemistry, or Chemical Engineering, combining deep domain knowledge in density functional theory (DFT) reactivity with strong software engineering skills in Python to accelerate catalyst design and chemical process modeling.

Key Responsibilities

• Design, build, and deploy automated Python based software workflows for molecular catalyst screening, transition state locator algorithms, and reaction network analysis.
• Bridge materials modeling algorithms with intuitive user interfaces to streamline molecular property predictions and reactivity profiling.
• Collaborate with multiple teams to integrate quantum mechanical calculation engines into broader materials science platforms.
• Maintain high-quality, reusable software code bases and contribute to collaborative, production-grade toolsets.
• Collaborate closely with teams based in the USA and globall