Senior Scientist - Materials Science Software, Hyderabad (Heterogeneous Catalysis & Surface Modeling)
Schrödinger, Inc. (company site, opens in a new tab)HyderabadOn-siteDirect career pageEst. 20–40 LPA
Posted 12h ago
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Job description
Structured overview of role & requirements
About This Role
- Develop advanced software tools and automated workflows focused on heterogeneous catalysis and surface chemistry modeling.
- Implement and maintain robust algorithms for periodic electronic structure calculations, NEB path generation, and surface energetics analysis for catalyst design.
- Ensure software quality via clean, documented code with active team code reviews and collaborative releases.
Minimum Requirements
- PhD in Materials Science, Computational Chemistry, Physics, Chemical Engineering, or related field.
- Strong domain expertise in periodic DFT applications including surfaces, interfaces, solid-state materials, or catalytic systems.
- Hands-on experience with running and automating periodic electronic structure codes like Quantum ESPRESSO, VASP, CP2K, or CASTEP.
- Work Experience Required: Not explicitly mentioned in the JD.
Ideal Candidate Profile
- Operates at the intersection of deep DFT reactivity domain knowledge and strong Python software engineering skillset.
- Experienced in automating complex workflows including NEB path generation and catalytic surface reaction kinetics.
- Capable of contributing to collaborative software development with clean coding practices and active involvement in code reviews.