Job Information

Organisation/Company: Basque Center for Applied Mathematics
Research Field: Physics » Computational physics; Physics » Statistical physics; Chemistry » Molecular chemistry; Computer science » 3 D modelling; Computer science » Modelling tools; Computer science » Programming; Engineering » Materials engineering

Researcher Profile: First Stage Researcher (R1)

Positions: PhD Positions

Application Deadline: 20 Sep 2026 - 14:00 (Europe/Madrid)

Country: Spain

Type of Contract: Temporary

Job Status: Full-time

Is the job funded through the EU Research Framework Programme? Horizon Europe - MSCA

Marie Curie Grant Agreement Number: 101311389

Is the Job related to staff position within a Research Infrastructure? No

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

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