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.
Requirements
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.
Additional Information
Benefits
The salary will comply with the rules of the 2025 MSCA Doctoral Network program under Horizon Europe and consists of:
- a living allowance (country correction coefficient applies),
- a mobility allowance (€710/month),
- and, if applicable, a family allowance (€660/month).
- Skilled workers who have not been fiscal residents in Spain for the last 5 years can enjoy a 30% tax exemption on their salary in Bizkaia for up to 10 years.
All amounts are subject to national taxation and social security regulations.
Social Security coverage
- Training, Networking and secondment opportunities
- Career Development plan
The position is funded for 36 months under the MSCA Doctoral Network. The total contract duration is 36 months.
Additional comments
https://joboffers.bcamath.org/apply/ic2026-07-05-phd-student-msca-dn-e-chemin-dc5-in-silico-reconstruction-of-solid-liquid-and-solid-solid-electrochemical-interfaces-at-the-nanoscale
Work Location(s)
- Number of offers available: 1
- Company/Institute: The Basque Center for Applied Mathematics (BCAM)
- Country: Spain
- State/Province: Bizkaia
- City: Bilbao
- Postal Code: E48009
- Street: Alda. Mazarredo, 14
Contact
- State/Province: Bizkaia
- City: BILBAO
- Website: http://www.bcamath.org
- Street: Alda. Mazarredo, 14
- Postal Code: E48009
- E-Mail: communication@bcamath.org
- Phone: +34 946 567 842
