Computational Materials Scientist in Catalysis and Reactivity

Schrödinger(8 days ago)

HybridFull TimeSenior$120,000 - $140,000Materials Science

About this role

A Computational Materials Scientist in Heterogeneous Catalysis and Reactivity focused on developing data-driven, physics-informed and machine learning models to optimize heterogeneous catalyst materials and processes. The role emphasizes quantum mechanical simulations and predictive modelling with a commercialization focus to advance research and translate solutions into practical applications. You'll work within the Materials Science team to drive discovery and improvement of tailored reactive systems.

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Required Skills

Heterogeneous Catalysis
Electronic Structure
Surface Reactivity
Chemical Kinetics
Periodic DFT
Microkinetic Modeling
Machine Learning
Python Programming
Quantum Simulations
Data-Driven Modeling

+1 more

Qualifications

PhD in Physical Chemistry
PhD in Computational Chemistry
PhD in Quantum Chemistry
PhD in Materials Science
PhD in Engineering
PhD in Physics

About Schrödinger

schrodinger.com

Schrödinger is a scientific leader that provides a physics‑based software platform for molecular discovery and design, delivering advanced molecular simulation, modeling, and predictive tools. Its solutions are used by pharmaceutical, biotechnology, and materials companies to accelerate drug discovery, materials innovation, and related R&D workflows. Schrödinger combines rigorous physics‑based methods with cheminformatics and data‑driven techniques, and supports customers with software, services, and partnerships to translate computational insights into experimental progress.