Location: University of Massachusetts Lowell Lowell, Massachusetts
Topics: Computational screening of semiconducting doped metal oxides for thermal energy storage

Dates: Target Starting Fall 2022, or Spring 2023

The PhD will perform computational screening (hybrid DFT/QM) calculations for predicting electronic properties in solid oxide materials.  The PhD will be part of a computational research group, with experimental collaborators, and a company that is seeking to utilize mixed oxides as a thermal storage media for to decarbonize process heat.

This PhD position will calculate and develop descriptors of single-phase stability, electrical conductivity, and dopability for the purpose of proposing new material compositions with desired properties.

Relevant Skills

• Background in materials physics / physical chemistry / nanoscience / chemical engineering / nuclear engineering / engineering
• Experience of atomic-scale modelling of electron properties: DFT, hybrid DFT, GW, DOS, BoltzTraP, carrier concentration, carrier effective mass, band gap
• Experience in machine learning is a plus
• Experience in materials thermodynamic modeling is a plus CALPHAD
• Experience in programming is required
• Fluency in written and spoken English

Candidates should send a CV, transcript and statement of interest to [email protected]. Target start date would be Fall 2022 or Spring 2023, but can be negotiated.