Senior Scientist - Materials Science Software, Hyderabad

Schrödinger, a leader in science and technology with over 35 years of expertise in atomic-scale modeling and physics-based chemical simulations, is seeking a Materials Science Developer. This role focuses on creating advanced software tools and automated workflows to enhance molecular reactivity studies and homogeneous catalysis. The ideal candidate will have a strong background in density functional theory (DFT) and software engineering, particularly in Python, to accelerate catalyst design and chemical process modeling.

Key Responsibilities
- Design, develop, and deploy automated Python-based workflows for molecular catalyst screening, transition state location algorithms, and reaction network analysis.
- Integrate materials modeling algorithms with user-friendly interfaces to facilitate molecular property predictions and reactivity profiling.
- Collaborate with cross-functional teams to embed quantum mechanical calculation engines into broader materials science platforms.
- Maintain high-quality, reusable codebases and contribute to the development of production-grade scientific software tools.
- Work closely with global teams, including those based in the USA, ensuring effective communication and collaboration on a daily basis.

Required Qualifications
- PhD in Materials Science, Computational Chemistry, Chemical Engineering, or a related field; alternatively, a Master’s degree with 5+ years of relevant industry or research experience.
- Strong practical experience with density functional theory (DFT) applied to reaction pathways, organometallic complexes, or molecular reactivity.
- Proficiency in using standard electronic structure software packages such as Jaguar, Gaussian, ORCA, or Q-Chem, integrated within automated Python workflows.

Preferred Qualifications and Benefits
- Experience with reaction network generation, transition state modeling, or microkinetic simulation tools.
- Familiarity with graphical user interface (GUI) development or building interactive computational workflows.
- Exposure to machine learning and data science techniques for molecular reactivity screening, including automated workflows for biodegradability and environmental sustainability assessments.
- Knowledge of microkinetic modeling modules related to homogeneous catalysis and multi-scale chemical reaction engineering.

Schrödinger is an equal opportunity employer committed to fostering a diverse and inclusive workplace. The company values engagement, teamwork, and passion for advancing scientific innovation. Schrödinger promotes a safe environment where employees can grow and contribute without discrimination based on race, color, religion, sex, age, disability, national origin, citizenship status, marital or partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, or sexual orientation. Diversity is viewed as a core principle that drives creativity, innovation, adaptability, and business success.