Senior Scientist - Materials Science Software, Hyderabad (Heterogeneous Catalysis & Surface Modeling)
Schrödinger, Hyderabad
The role
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 heterogeneous catalysis and surface chemistry modeling.
We are seeking a developer with a PhD in Materials Science, Computational Chemistry or Physics, 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.
What you will do
- Develop robust software tools for automated surface slab generation, adsorption site mapping, and catalytic surface reaction kinetics.
- Implement algorithms and workflows for periodic electronic structure calculations, nudged elastic band (NEB) path generation, and surface energetics analysis.