Senior Scientist - Materials Science Software, Hyderabad
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Job Description
Structured overview of role & requirementsAbout This Role
Develop and deploy automated Python software workflows for molecular catalyst screening, transition state detection, and reaction network analysis.
Integrate materials modeling algorithms with user interfaces to enable molecular property predictions and reactivity profiling.
Collaborate with global teams to integrate quantum mechanical calculation engines into materials science platforms and maintain production-grade software codebases.
Minimum Requirements
PhD in Materials Science, Computational Chemistry, Chemical Engineering, or related field; alternatively, Master’s degree with 5+ years relevant experience.
Strong expertise in density functional theory (DFT) applied to reaction pathways and molecular reactivity.
Proven experience using electronic structure packages (e.g., Jaguar, Gaussian, ORCA, Q-Chem) within automated Python workflows.
Work Experience Required: Not explicitly mentioned beyond degree and experience criteria.
Ideal Candidate Profile
Experienced scientific developer with deep domain knowledge in DFT reactivity and catalyst design.
Skilled in developing automated computational workflows and integrating complex quantum chemistry engines.
Comfortable working in a collaborative, global team environment with focus on production-level software for chemical process modeling.