Senior Scientist

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Senior Scientist in Others

Schrödinger
Full time
Email

Others
10/07/2026
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Hyderābād, India

Responsibilities

Design, build, and deploy automated Python workflows for molecular catalyst screening, transition-state locator algorithms, and reaction-network analysis.
Bridge materials-modeling algorithms with intuitive user interfaces for molecular property prediction and reactivity profiling.
Integrate quantum-mechanical calculation engines into broader materials-science platforms.
Maintain reusable, high-quality software codebases and contribute to production-grade collaborative toolsets.
Collaborate daily with teams in the USA and globally.

Requirements

PhD in Materials Science, Computational Chemistry, Chemical Engineering, or a related field, or a master’s degree with at least five years of relevant industry or research experience.
Strong practical experience applying density functional theory to reaction pathways, organometallic complexes, or molecular reactivity.
Experience using electronic-structure packages such as Jaguar, Gaussian, ORCA, or Q-Chem within automated Python workflows.
Preferred experience with reaction-network generation, transition-state modeling, or microkinetic simulation tools.
Preferred familiarity with GUI development or interactive computational workflows.
Preferred exposure to machine-learning or data-science integration for molecular reactivity screening and sustainability assessment.
Preferred knowledge of microkinetic modeling modules for homogeneous catalysis and multiscale chemical reaction engineering.

Schrödinger

Schrödinger builds molecular modeling and simulation software and a cloud-based platform used by biopharma, materials companies, and academic and government labs to design therapeutics and materials. It sells software licenses and enterprise deployments and also advances wholly owned and collabor...

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