PhD Student (R1)

Offer Description

Objective

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.

Expected results

1. A robust methodology for the in-silico reconstruction of complex materials implemented in an open-source code with a user-friendly interface.
2. Atomistic models free from standard idealization (e.g. defect-free, planar surfaces), with unprecedented detail of the interface chemistry, morphology.
3. A fundamental description of how typically overlook features, e.g. substrate heterogeneity and surface corrugation, shape interface performance in storage and conversion devices.

Where to apply

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

Requirements

• Chemistry » Molecular chemistry - Education Level: Master Degree or equivalent
• Computer science » 3 D modelling - Education Level: Master Degree or equivalent
• Computer science » Modelling tools - Education Level: Master Degree or equivalent
• Computer science » Programming - Education Level: Master Degree or equivalent
• Engineering » Materials engineering - Education Level: Master Degree or equivalent
• Physics » Computational physics - Education Level: Master Degree or equivalent
• Physics » Statistical physics - Education Level: Master Degree or equivalent

Skills/Qualifications

• Excellent communication and writing skills, thorough command of the English language are mandatory.
• 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.
• Master’s degree or equivalent in Applied Mathematics, Physics, Computational Chemistry or closely related disciplines.

Languages

ENGLISH - Level: Excellent

Additional Information

Benefits

The Basque Center for Applied Mathematics (BCAM) is located in Bilbao, Spain, and is an internationally leading centre for applied mathematics research, a scientific partner to national and international research institutions, and a provider of research and innovation for the regional and national industry. BCAM is an institute of the Basque Excellence Research Centres (BERC) network and has about 150 employees from over 10 nationalities.

The selected candidate will be required to enroll in a PhD program at the University of the Basque Country (EHU) but will perform research activities at BCAM.

Main supervisor: Prof. Elena Akhmatskaya (BCAM, https://www.bcamath.org/en/research/areas/m3a/mslms)

Co-supervisor: Prof. Amaia Saracibar (EHU, https://www.ehu.eus/es/web/doktoregoa/doctorado-ciencia-tecnologia-materiales/profesorado?redirect=fichaPDI&idPdi=273081)

Advisory support: Dr. M.R. Bonilla (BCAM, https://www.bcamath.org/en/research/areas/m3a/mslms)

Co-supervisors from secondments:

• Prof. S. Dvinskikh (KTH, https://www.kth.se/profile/sergeid)
• Prof. J. Carrasco (CIC energiGUNE, https://cicenergigune.com/es/javier-carrasco-rodriguez)

DC will stay 3 months at Leibniz Institute for New Materials (Prof. N. Tarakina) and 2 months at CIC energiGUNE (Prof. J. Carrasco), and 3 months at KTH Royal Institute of Technology (Prof. S. Dvinskikh).

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.

Start Date: from 01.11.2026 but not later than 01.04.2027

Type of contract: Full-time employment contract in accordance with national regulations

Hours per week: Full time

BCAM promotes an open and inclusive institutional culture in which diversity is valued and actively fostered. As an equal opportunity employer, BCAM conducts this recruitment process in accordance with the HRS4R principles and the European Charter for Researchers, ensuring equal opportunities and non-discrimination. Candidate selection is based solely on scientific excellence, with active monitoring to promote gender balance and support underrepresented groups. The e-ChemIn project provides fair working conditions, comprehensive parental leave provisions, diversity training, and administrative and relocation support.

Eligibility criteria

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.

Selection process

Applicants must submit

• CV (including a detailed description of residence and main activities over the last 3 years).
• Motivation letter.
• Copies of academic degrees.
• Contact details of 3 referees.

Deadline: 20.09.2026

Apply via: Call PhD Student (R1) | BCAM - Basque Center for Applied Mathematics

Recruitment will follow the MSCA Doctoral Network principles of:

• Open, transparent and merit-based selection
• Equal opportunities and non-discrimination
• Evaluation by a qualified selection committee

Shortlisted candidates may be invited for interviews. The selection process will be properly documented in accordance with MSCA requirements.

More details about the position, application procedure and recruitment can be found on the e-ChemIn webpage (www.e-chemin-dn.eu).

Additional comments

The e-ChemIn network brings 12 academic and 6 industrial partners from 9 countries formed an international, interdisciplinary and inter-sectoral team. 15 Doctoral candidates will enjoy a multi-disciplinary and international environment with plenty of training opportunities and exchange with all labs involved in the Network.

The doctoral candidates will be hired in one of the following institutions/organizations:

1. Max Planck Institute of Colloids and Interfaces (DC1)
2. Leibniz Institute for New Materials (DC2, DC3, DC15)
3. Stockholm University (DC4, DC13)
4. Basque Center for Applied Mathematics (DC5)
5. CIC energiGUNE (DC6, DC7)
6. VSB Technical University of Ostrava (DC8)
7. Royal Institute of Technology (DC9)
8. Leiden University (DC10)
9. University of Liverpool (DC11)
10. University of Trieste (DC12)
11. MONOLITHOS Catalysts and Recycling Ltd. (DC14).

Scientific background

The climate targets set by the EU with the goal of climate neutrality by 2050 require a transformation of all sectors of the economy towards the use of renewables-based electricity, calling for joined forces between EU countries in order to achieve a more resilient energy system. In the e-ChemIn we are united by the idea of applying a new paradigm in designing energy devices, which shifts the current approach of creating individual materials towards engineering electrochemically ACTIVE MATERIALS INTERFACES. Working together we will: 1) design multiple sets of electrochemical interfaces using renewable, abundant, and circular materials and optimize them for new generations of energy conversion and storage devices. Created lab-scale prototypes which outperform characteristics of current benchmarks and will be ready for further developments at high TRLs (5-9); 2) develop multimodal approaches for the characterization of interfaces operando at the nanoscale, providing unprecedented insights into interfaces in action and making the characterization of active interfaces accessible to the broader scientific community; 3) successfully establish processes for the recovery of critical raw materials from end-of-life devices and apply them at the industrial scale.

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Website for additional job details: https://joboffers.bcamath.org/

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 de Mazzarredo 14

Contact

State/Province: Bizkaia

City: Bilbao

Website: https://www.bcamath.org/en

Street: Alameda de Mazzarredo 14

Postal Code: 48009

E-Mail: eakhmatskaya@bcamath.org

Phone: +34946567842

Fax: +34946567842