PhD Student (Ref: PhD 2026-17 JLL)

Institute of Chemical Research of Catalonia ICIQ; España; Presencial; EUR 24.000 - 30.000; Jornada completa

Descripción de la vacante

The Institute of Chemical Research of Catalonia (ICIQ) in Tarragona, Spain, invites applications for a PhD student to work on AI-driven catalyst development for CO₂ reduction. The project combines catalyst design, automated high-throughput experimentation, real-time analysis and Bayesian optimization to drive discovery.

The successful candidate will join the Lloret-Fillol Group and receive interdisciplinary training in synthesis, electrochemistry, spectroscopy and data science, with

Formación

• Master’s degree or equivalent qualification required for PhD access.
• Strong motivation to work at the interface of chemistry, automation and data-driven research.
• Good written and spoken English; B2 or higher desirable.

Responsabilidades

• Design, synthesize and characterize new electrocatalysts for CO2 reduction.
• Plan and execute high-throughput catalyst-preparation and electrochemical-testing campaigns.
• Integrate real-time data with closed-loop optimization and ML methods.
• Develop reproducible protocols and integrate software and hardware modules.
• Establish structure-activity relationships through electrochemistry and spectroscopy.
• Curate machine-readable data and contribute to FAIR data practices.
• Participate in meetings, collaborations and outreach.

Conocimientos

Interdisciplinary teamwork

Automation interest

Python basics

Data-driven research

Educación

Master’s degree in Chemistry or related

Herramientas

Python

Descripción del empleo

Institute of Chemical Research of Catalonia ICIQ

Organisation/Company Institute of Chemical Research of Catalonia ICIQ Department Burés Group Research Field Chemistry Researcher Profile First Stage Researcher (R1) Positions PhD Positions Application Deadline 17 Sep 2026 - 23:59 (Europe/Madrid) Country Spain Type of Contract Temporary Job Status Full-time Hours Per Week 37.5 Offer Starting Date 2 Nov 2026 Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Reference Number 101097684-Excited Is the Job related to staff position within a Research Infrastructure? No

Offer Description

The Institute of Chemical Research of Catalonia (ICIQ) is seeking a PhD student to work in Prof. Julio Lloret’s Research Group.

ICIQ is one of the world’s internationally recognized leading institutions in the field of chemistry committed to solving major social and economic challenges by conducting top quality research in three main areas: Sustainable Catalysis, Renewable Energy and Health. The institute also aims at training the future generation of scientists by offering high-quality educational programs to masters, PhD students and postdoctoral researchers (full details on http://www.iciq.org/ ).

This objective is achieved by:

• The performance of an individual research project under the direction of an internationally renowned Group Leader, in a creative and stimulating scientific environment.
• Opportunities for short stays in distinguished international research institutions.
• Opportunities for complementary training in both technical and soft skills. The educational framework is designed to ensure a successful career: scientific seminars , hands-on training in the use of state-of-the-art scientific instrumentation, IP management, entrepreneurship, research integrity, knowledge and technology transfer, grant applications, project management, communication skills and career development.ICIQ offers a yearly personalized training programme for PhD students, SHARP, which takes place during the course of 2 weeks, with training focused on their given PhD year.

Project Title and Description:AI-driven Catalyst Development

Description of the project:

The Lloret-Fillol Group is seeking a highly motivated national or international candidate to pursue a PhD at the Institute of Chemical Research of Catalonia (ICIQ) in Tarragona, Spain. The project will accelerate the discovery of electrocatalysts for converting CO₂ into fuels and chemical feedstocks by combining catalyst design, automated high-throughput experimentation, real-time analysis and artificial intelligence.

The successful candidate will work with AMPER, an automated modular platform for electrochemical research developed at ICIQ. AMPER integrates robotic handling, gas and liquid management, electrochemical testing, analytical instrumentation and modular software control. The PhD project will contribute to converting this platform into a closed-loop self-driving laboratory in which experimental data are analyzed as they are generated and Bayesian optimization, active learning and AI agents propose the next most informative experiments.

The scientific objective is to design and validate selective, robust electrocatalysts - with a strong emphasis on earth-abundant elements - for CO₂ reduction toward fuels and energy carriers. The work will connect catalyst synthesis and characterization with electrochemistry, spectroscopy, mechanistic analysis, automation and data science. The position is embedded in the interdisciplinary RAISE/2AID consortium, which brings together chemists, roboticists and AI researchers.

Training:

The candidate will receive interdisciplinary training in:

• Catalyst synthesis under controlled and inert conditions, electrochemistry and reaction engineering.
• Analytical and spectroscopic methods, including NMR, GC, HPLC, UV-Vis, IR/SEIRA and X-ray absorption methods, as appropriate to the project.
• Mechanistic investigations, kinetics, structure-activity relationships and computational chemistry.
• High-throughput experimentation, experimental design, data processing, Bayesian optimization, machine learning and AI-agent workflows.
• Laboratory automation and instrument integration, including robotic handling, data acquisition, and basic electronics, according to the candidate’s profile.
• ICIQ’s technical and professional-development programme: scientific seminars, state-of-the-art instrumentation, research integrity, IP and technology transfer, entrepreneurship, grant and project management, scientific communication and career development.
• Consortium training activities and a research stay or secondment with collaborating groups, subject to the project work plan.

Tasks to be performed by the PhD student:

• Design, synthesize and characterize new electrocatalysts for CO₂ reduction to fuels and energy carriers.
• Plan and execute high-throughput catalyst-preparation and electrochemical-testing campaigns using AMPER and related automated equipment.
• Integrate real-time electrochemical and analytical data with closed-loop optimization and machine-learning methods to guide subsequent experiments.
• Develop, validate and document reproducible experimental protocols; contribute to the integration of software and hardware modules required by the research workflow.
• Establish structure-activity-selectivity-stability relationships through electrochemistry, spectroscopy, kinetic analysis and computational support.
• Curate high-quality, machine-readable experimental data and contribute to FAIR data practices, scientific reports, publications and conference presentations.
• Participate actively in group and consortium meetings, interdisciplinary collaborations, mentoring activities and scientific outreach.

Requirements

• Candidates must have a Master’s or an equivalent degree in the areas of Computer Science, Physics, Chemical Engineering, Chemistry, or related disciplines that must be completed by the time of enrolment in the PhD programme.

Preferred skills or background:

• A Master’s degree (or equivalent qualification granting access to a PhD programme) in Chemistry, Chemical Engineering, Materials Science, or a closely related discipline.
• A solid foundation in chemistry, catalysis, electrochemistry or materials synthesis and characterization.
• Strong motivation to work at the interface of experimental chemistry, automation and data-driven research.
• Experience with Python, automation, electronics, experimental design or machine learning is an advantage, but is not required.
• Curiosity, creativity, rigorous experimental practice, good organizational skills and commitment to reproducible research.
• Ability to work both independently and collaboratively in a multidisciplinary, international environment.
• Good written and spoken English; an English level equivalent to B2 or higher is desirable.

Who should apply?

We do not expect candidates to arrive as experts in every area. Applicants with a strong chemistry or electrochemistry background and a clear motivation to learn automation, programming and AI are particularly encouraged to apply.

Required documentation

A full Curriculum Vitae (in PDF format). It should include the academic background, work or research experience, publications, conferences, grants and awards, previous participation in ICIQ programmes, other relevant merits and references.

• A personal statement that describes the applicant’s academic background, research experience and career goals (maximum two DIN A4 pages, in PDF format). This is a very important section of the application process. The candidate must be able to communicate their interests and how these would align with ICIQ and a PhD training. Candidates should also mention the research group where they would like to carry out their PhD, and the reasons why they are interested in a particular group leader and their research project.
• Official transcripts of BSc and MSc studies in PDF format. A scanned copy of the certified academic record of the studies granting access to the PhD programme (BSc and MSc if available). In case that the MSc studies have not yet been completed at the time of the application, candidates must include details on the subjects in which they are currently enrolled (subject name and number of credits). For academic records not issued in Catalan, Spanish or English, a certified translation in English should be provided; otherwise, applications which do not include a certified translation of the academic record will be non-eligible and, therefore, not taken into consideration. For degrees obtained in foreign institutions,