Hydrogen Materials Computational Research Associate

University-of-Nottingham; Nottingham; On-site; GBP 32,080 - 47,389; Full time

Benefits offered by this job

Generous holiday entitlement

Training and career progression

Staff discounts and benefits

Job summary

University of Nottingham seeks a Research Associate/Fellow to join its Hydrogen Research Group. The role focuses on the optimisation of metal (complex) hydrides and the development of solid-state hydrogen storage technologies.

You will engage in computational discovery, design, and modelling using atomistic and data-driven approaches. Applicants should have a PhD in a relevant field and strong experience in DFT or ML interatomic potentials.

Qualifications

• PhD (or close to completion) in Chemistry, Physics, Materials Science, or related field.
• Strong expertise in atomistic computational modelling of solid-state materials (DFT and/or ML interatomic potentials).
• Experience with Python-based workflows for ML potentials and high-throughput screening is desirable.

Responsibilities

• Perform computational discovery, design and modelling of metal hydrides.
• Develop, implement or adapt Python-based codes and workflows for ML interatomic potentials.
• Contribute to high-throughput computational screening and materials discovery.

Skills

Python programming

ML interatomic potentials

DFT experience

Education

PhD in Chemistry Physics or Materials Science

Tools

Density Functional Theory (DFT)

CALPHAD modelling

Phase-field modelling

Job description

University of Nottingham seeks a Research Associate/Fellow to join its Hydrogen Research Group. The role focuses on the optimisation of metal (complex) hydrides and the development of solid-state hydrogen storage technologies.

You will engage in computational discovery, design, and modelling using atomistic and data-driven approaches. Applicants should have a PhD in a relevant field and strong experience in DFT or ML interatomic potentials.