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Senior Computational Material Scientist - Happy ... (No replies)

1 month ago
efertitta 1 month ago

Happy Electron Ltd. is an international R&D company active in the field of electric energy generation and storage. We are partnered with Arrival Ltd., a UK-based technology company developing next-generation electric vehicles.

We run multiple projects from our offices and laboratories in London, UK, San Francisco, USA, and St. Petersburg, Russia, and collaborate with leading academic experts in computational and experimental materials science worldwide.


About the role:

We are looking for a skilled and motivated Senior Computational Material Scientist to join our team in London to model and investigate novel materials for energy storage devices.

Our ideal candidate will have a broad knowledge of theoretical approaches for materials modelling (electronic structure and statistical mechanics) and practical experience with computational methods such as Density Functional Theory, Molecular Dynamics, Monte Carlo and other global (free-)energy landscape exploration tools.



- Developing and using relevant computational procedures to predict the structure and characterise the electronic properties of highly disordered carbon materials, chemically doped carbons, carbon-electrolyte interfaces, and carbon-lithium interactions in batteries and supercapacitors

- Writing progress reports, research articles and regularly presenting research outcomes to non-specialists

- Overseeing the physical characterisation experiments needed for atomistic simulations

- Collaborating with external academic partners to perform computational studies

- Interacting with internal and external experimental groups to support product development

- Keeping up to date with relevant literature and technologies through research and conference attendance

- Acting as Subject Matter Expert (SME) in your field by providing advice and support to colleagues  

- Willingness to travel internationally is required


Skills and qualifications:

- PhD in computational materials science, theoretical chemistry, theoretical physics, or equivalent field

- Considerable hands-on experience with periodic DFT and familiarity with different open-source and commercial codes and programs (e.g. QUANTUM ESPRESSO, DFTB+, VASP, etc...)

- Considerable experience and familiarity with classical/ab initio Molecular Dynamics methods and codes (e.g. LAMMPS), Monte Carlo, atomic structure prediction codes (e.g. AIRSS, CALYPSO, USPEX, etc) and other global (free-)energy landscape exploration tools

- Experience in working with highly disordered carbon materials, lithium-ion batteries, and carbon-electrolyte as well as carbon-lithium interfaces

- Expertise with machine-learning based codes (e.g. GAP, FLARE, etc.) and underlining principles of machine-learning is a plus

- Familiarity with the usual techniques for the characterization of carbon-based materials (XRD, Raman, Neutron scattering, N2 adsorption, etc...)

- Proven familiarity with the relevant research literature is a plus

- Ability to communicate technical and advanced research material clearly to non-specialists

- Comfortable working in an international team across several time zones

- Able to work independently and manage your time well


Our offer:

- A competitive salary

- 40-hour working week

- 23 days’ holiday + Christmas period off

- Workplace pension

- Competitive benefits

- Flexible hours

How to apply:

Please submit your application by email within October 10th 2020 to Edoardo Fertitta ([email protected]) including your resume, a list of publications and a short cover letter.
All applicants must be eligible to live and work in the United Kingdom.

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Ab initio (from electronic structure) calculation of complex processes in materials