Bridging Atomistic Modeling to Real Electrochemical Systems Modeling Intern

Toyota Research Institute•Los Altos, CA

5d•Hybrid

About The Position

Toyota Research Institute is hiring a paid 12-week intern researcher for its Accelerated Materials Design and Discovery program. The role contributes to atomistic catalysis modeling that bridges current simulations, such as density functional theory (DFT), with in-situ catalysis experiments. The work includes developing reasoning models that incorporate chemical and atomistic descriptors, experimental parameters, and measurements. The intern may review computational-methods literature and construct and validate models. The role is hybrid and in-office.

Requirements

Currently enrolled in a doctoral program in a STEM subject such as chemistry, chemical engineering, materials science, electrical engineering, mechanical engineering, or a related discipline.
Hands-on experience with advanced three-electrode cell catalyst electrochemical evaluation.
Experience with standard material characterization techniques, such as X-ray diffraction and scanning electron microscopy.
Published manuscripts in the electrocatalysis field.

Nice To Haves

Experience coding in Python.
Microkinetic modeling experience.
Experience with DFT simulations.
Experience in in-situ electrocatalysis characterization.

Responsibilities

Research multiscale physics phenomena required for electrocatalysis modeling.
Perform data analytics for experimental electrocatalyst design and testing.
Identify materials insights that enable existing models to be translated to new materials.
Develop reasoning models that incorporate atomistic modeling and experiments.
Collaborate with the team on automated reasoning methods.
Present findings to the team and the broader group.
Review literature on computational methods and contribute to model construction and validation.