PhD Positions

Offer Description

The aim of this project is developing inverse modelling and optimization techniques that leverage experimental data to construct detailed 3D representations of complex interfaces in energy storage and conversion devices at the atomistic level. These include solid-liquid (S-L) interfaces (e.g., between carbonaceous anodes and ionic liquid electrolytes in next-generation Na-ion batteries), and the solid-solid (S-S) interfaces (e.g., between metal oxide catalysts and carbon support materials to improve catalytic performance in water oxidation reactions). To achieve this goal, we will leverage BCAM’s enhanced Bayesian sampling techniques, generalized hybrid Monte Carlo (MC) schemes, and adaptive integration methods designed to accelerate atomistic simulations. The approach to be developed will initially integrate spectroscopy data (XPS, SAX, SXRD) to generate candidate structures for S-S and S-L interfaces, which are subsequently refined using high-resolution microscopy (EELS, TEM) and NMR measurements. We will then deploy these refined, high-fidelity models to analyse the structural evolution of materials during electrochemical processes and to characterize interfacial ionic transport.

Where to apply

Website: https://joboffers.bcamath.org/

Requirements

Research Field: Mathematics » Applied mathematics

Education Level: Master Degree or equivalent

Skills/Qualifications

• Experience with atomistic or particle simulations methods: Molecular Dynamics, Monte Carlo schemes, free energy methods.
• Good knowledge of Bayesian inference, data science, and machine learning.
• Experience in scientific computing in C++, Python, and/or Julia.
• Knowledge of electrochemistry and materials science (desirable).
• Ability to work as a member of an international, multi-disciplinary team.

Specific Requirements

• Applicants must not already hold a doctoral degree at the date of recruitment and must not have resided or carried out their main activity (work, studies, etc.) in Spain for more than 12 months in the 36 months immediately before the recruitment date.
• Eligibility will be verified at the time of recruitment.
• Master’s degree or equivalent in Applied Mathematics, Physics, Computational Chemistry or closely related disciplines.

Languages: English — Level: Excellent

Additional Information

No additional information.

Work Location(s)

• Number of offers available: 1
• Company/Institute: BCAM - Basque Center for Applied Mathematics
• Country: Spain
• State/Province: Bizkaia
• City: Bilbao
• Postal Code: 48009
• Street: Alameda Mazarredo 14

Contact

• State/Province: Bizkaia
• City: Bilbao
• Website: http://www.bcamath.org/en/
• Street: Avenida Mazarredo 14
• Postal Code: 48009
• E-Mail: joinus@bcamath.org