The Fully-Funded PhD Programme offered by The Institute of Chemical Research of Catalonia (ICIQ) is aimed at exceptional graduate students from all over the world, to support their enrolment in a training and research programme in the field of chemistry, ultimately leading to the completion of a Doctoral Thesis in partnership with the Universitat Rovira i Virgili (URV). The programme will also contribute to their professional career development, in the fields of academia and industry.

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.

The programme is addressed to highly qualified and talented graduate students with a keen interest in chemical research. Candidates should have an excellent academic record, strong commitment to scientific research and a solid working knowledge of English.

Admission to the programme is on a competitive basis.

I. Available positions: See Annex 1

II. Application process

The entire application process will be completed online. Applicants must apply by accessing ICIQ’s Career Portal. Applications sent by email or any other means will not be eligible.

Only one application per person will be considered. In case of multiple applications, only the first application submitted will be taken into consideration.

After completing the online form, applicants must attach the following documents:

• Required documentation
  1. 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.
  2. 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.
  3. 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, the academic record must include the range of marks used in the corresponding countries and the minimum mark to pass, as well as the hours or ECTS and marks for each subject.
  4. Contact details for letters of recommendation of two University professors or other relevant individuals who can assess the candidate’s potential for research. ICIQ will contact the people listed as references only in the event that a candidate is shortlisted. We suggest informing your references.
  5. English proficiency level: Applicants must provide evidence of their proficiency in written and oral communication in the English language. Preferably, by the submission of a B2 certificate, First Certificate, IELTS 6 or equivalent. This certificate is not mandatory but desirable, and alternatively late stage candidates will be interviewed to assess their English level. Applicants from Anglosphere (UK, Ireland, USA, Canada, Australia and New Zealand) are exempt from this requirement.

Please note that documents sent in hard copy cannot be processed.

Applicants should select only ONE PhD supervisor.

Once the application has been successfully completed, an acknowledgement e-mail will be automatically sent. Candidates must ensure that all the required documentation is included before submitting the application. Incomplete applications will not be considered.

III. Eligibility and evaluation criteria

The programme is open to graduate students, from any nationality that fulfil the following eligibility criteria:

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

When in doubt regarding the eligibility criteria, applicants should contact ICIQ’s Human Resources unit at positions@iciq.es prior to submission of the application.

Candidates who fulfil the eligibility criteria will be evaluated according to the following evaluation criteria:

1. Curriculum vitae.
2. Personal statement.
3. Academic marks.
4. English level.
5. Personal interview for short-listed candidates.

IV. Evaluation and Selection Process

The evaluation and selection of the candidates will be performed by the project supervisor supported by the Human Resources unit team, and following the below procedure:

1. Submitted applications will be checked for eligibility and those not fulfilling all the criteria will be rejected. It won’t be possible to modify the application or to add missing documentation after the application has been submitted.
2. The selection will be based on the evaluation criteria described in Section III.
3. At the late stages of the selection process, only short-listed candidates will be contacted for a personal interview.
4. All applicants will be notified of the final selection decision by Mid-July 2025. The name of the awardees will be published on ICIQ’s website.

Successful candidates will be requested to inform ICIQ whether they accept or decline the offer within five business days after being notified. The offer will be considered declined in the event that the applicant does not respond during this time.

ICIQ follows in its selection process a gender equality opportunity policy and a non-discrimination policy on the basis of age, ethnic or social origin, religion or belief, sexual orientation, language and disability.

ICIQ is committed to promoting a work-life balance for its employees and, as such, offers flexible working hours.

V. Grant Conditions

1. The awardees of an ICIQ Fully-Funded PhD position will be considered research personnel in training and they will have an employment contract (a pre-doctoral contract) which is regulated in the Spanish Law 14/2011, of June 1^st, of Science, Technology and Education.
2. Pre-doctoral contracts are renewed annually for up to 4 years. Renewal is subject to satisfactory performance in the PhD studies and related research activities.
3. The gross yearly salary of the contract shall be split into 12 monthly payments and distributed as shown below:

First and Second year of PhD: 18.180,41€ /year

Third year of PhD: 19.479,01€ /year

Fourth year of PhD: 24.348,77€ /year

1. The fellowship includes full social security coverage through the Spanish Social Security system, providing access to the Spanish public health care system and pension and unemployment benefits.
2. The grant holder is entitled to temporarily interrupt the fellowship in the following situations: temporary disability, risk during pregnancy, maternity, paternity and adoption or foster care. The time elapsed during this interruption will not be accounted for against the total time.
3. The contract will take effect on the date when the awarded student joins the centre.
4. The Fully-Funded PhD includes the costs of enrolment in the PhD programme. These costs will be paid by each beneficiary to the university, and later they will be refunded by ICIQ. The PhD thesis has to be completed within 4 years.
5. The PhD awardees will work full-time at ICIQ and may not receive any other fellowship or regular income.
6. The Fully-Funded PhD position is incompatible with any other fellowship with the same purpose.

Supervisor: Núria López

Project Title: Electrochemical conversion towards a circular economy

Number of positions: 1

Description of the project:

The project will be devoted to develop further our investigation in the conversion of CO2 and NOx feedstocks into valuable compounds employing the most advanced computational techniques including Machine Learning Models, Density Functional Theory, Grand-Canonical methods and multiscale approaches.

Tasks to be performed by the PhD student:

Literature analysis. Computer simulations with the different methodologies. Analysis of the corresponding data from the simulations. Developing needed code. Presenting both oral and write reports and drafts on the work done.

Preferred skills or background:

• Physics
• Chemical Engineering
• Physical Chemistry
• Computer Science
• Coding abilities (python)
• English

Supervisor: Núria López

Project Title: Electrochemical conversion towards a circular economy

Number of positions: 1

Description of the project:

The project will be devoted to develop further our investigation in the conversion of CO2 and NOx feedstocks into valuable compounds employing the most advanced computational techniques including Machine Learning Models, Density Functional Theory, Grand-Canonical methods and multiscale approaches.

Tasks to be performed by the PhD student:

Literature analysis. Computer simulations with the different methodologies. Analysis of the corresponding data from the simulations. Developing needed code. Presenting both oral and write reports and drafts on the work done.

Preferred skills or background:

• Physics
• Chemical Engineering
• Physical Chemistry
• Computer Science
• Coding abilities (python)
• English

Project Title: Fundamental studies and applications of hybrid oligomers based on synthetic and biological scaffolds

Number of positions: 1

Description of the project: The research group of Dr. Escobar is seeking a highly talented and motivated national or international student to pursue a PhD at the Institute of Chemical Research of Catalonia (ICIQ) in Tarragona, Spain. In partnership with the Universitat Rovira i Virgili (URV), ICIQ offers a PhD program in Chemical Science and Technology. The project focuses on the design and synthesis of hybrid oligomers that combine synthetic and biological scaffolds, particularly host-guest systems with nucleic acids and peptides. The research will involve investigating their fundamental properties and functions, as well as conducting proof-of-principle studies to explore their potential applications in health.

Tasks to be performed by the PhD student:

- Synthesize and characterize host-guest systems.

- Develop conjugation methodologies to combine host-guest systems with nucleic acids and peptides.

- Investigate the fundamental properties and functions of hybrid oligomers.

- Conduct proof-of-principle studies to explore potential applications in health.

- Prepare progress reports and manuscript drafts for scientific publications.

- Present research findings at group meetings and national/international con-ferences.

- Participate in science outreach activities, engaging the general public and students.

Preferred skills or background:

- Master’s degree in Chemistry.

- Proficiency in English, both written and spoken.

- Fundamental knowledge of routine characterization techniques for organic compounds.

- Willingness to learn new techniques/methodologies and to develop soft skills.

- Ability to work both independently and collaboratively.

- Creative thinking and problem-solving skills.

- Effective time management and organizational skills.

- Reliability in meeting commitments and deadlines.

- Excellent academic transcripts.

- Ability to interact professionally with faculty, students, co-workers, and the general public.

Supervisor: J. R. Galan-Mascaros

Project Title: Low temperature hydrogenation of dinitrogen to ammonia

Number of positions: 1

Description of the project: The objective is to investigate new catalysts based on Earth-abundant metals able to promote the activation of dinitrogen for the synthesis of ammonia at low temperature and pressure. The catalysis performance will be evaluated both, in thermal and electrochemical conditions.

Tasks to be performed by the PhD student: Synthesis and processing of solid state catalysts. Structural, spectroscopic and electrochemical characterization of catalysts and materials. Product analysis.

Preferred skills or background: Inorganic and analytical chemistry. Solid-state synthesis. Electrochemistry. Gas handling.

Supervisor: Feliu Maseras

Project Title: Computational study of material-supported homogenous complexes for reduction of carbon dioxide. 

Number of positions: 1

Description of the project:

Ruthenium complexes have been previously shown to be efficient in the catalytic reduction of carbon dioxide. The possibility of attaching them to specific electrodes is intriguing, and the design of the systems will be very much facilitated by a good mechanistic understanding of the interactions between the complex and the surface, and the complex and the substrate. This will be investigated computationally with DFT and DFT/MM methods, in good part with the Gaussian software.

Tasks to be performed by the PhD student:

Bibliographical research, high performance calculations with DFT, prediction of reaction times with microkinetic modeling, writing of reports and publications, oral presentations. Supervision of undergraduate and M. Sc. Students.

Preferred skills or background:

Finished M. Sc. by September 2025 (mandatory) in the following areas: Chemistry or related topic.

Experience on DFT calculations with Gaussian or similar codes.

Supervisor: Dr. Elisabet Romero

Project Title: Design and construction of bio-inspired chromophore-protein assemblies based on the quantum design of photosynthesis for their implementation into efficient and sustainable solar cells. 

Number of positions: 1

Description of the project: The motivation of this PhD project is the need to face the global challenge of achieving a renewable, widespread, safe and inexpensive energy supply to contribute to our society ecological transition in order to attain a more sustainable future. The energy of the Sun is the most promising energy source since it fulfils the above-mentioned requirements. Hence in the initial phase of this project (Years 1-2), the PhD student will design and construct novel bio-inspired chromophore-protein assemblies (de novo designed proteins) capable of absorbing solar energy and converting it into a stable separation of charges. Crucial to this project is the implementation of the quantum design principles of photosynthesis. The methods to be applied to understand the properties of the assemblies (with a focus on quantum effects) will be mainly (but not limited to) spectroscopic techniques, both steady-state (absorption, fluorescence, linear and circular dichroism, Raman, and Stark) and time-resolved (ultrafast) (transient absorption, transient fluorescence, and two-dimensional electronic spectroscopy). In the second phase (Years 3-4), these assemblies will be utilized to fabricate solar cells in order to achieve efficient and cost-effective conversion of solar energy to electricity. The efficiency and stability of the solar cells will be assessed by various electrochemical methods.

Tasks to be performed by the PhD student:

Workpackage 1

Task 1.1: Design and construct chromophore-protein assemblies.

The design will be performed by combining protein sequence prediction and optimization programs (ProteinMPNN, LigandMPNN) with protein folding prediction software (AlphaFold 3, Chai).

Task 1.2: Investigate the chromophore-protein assemblies by a series of spectroscopic techniques.

The spectroscopic techniques to be applied will be: absorption, fluorescence, linear and circular dichroism, Raman, Stark, and ultrafast transient absorption, transient fluorescence, and two-dimensional electronic spectroscopy. The data will be analyzed by specific software (ReactLab, Glotaran).

Workpackage 2

Task 2.1: Fabricate solar cells based on the most optimal chromophore-protein assemblies constructed.

The solar cell fabrication will take place in the cleanroom with different fabrication tecniques and variyng key parameters such as the assemblies concentration.

Task 2.2: Assess the efficiency and stability of the solar cells by various electrochemical methods.

The electrochemical methods to be applied are (among others) PIT-PV (Photo-Induced Transient Photo Voltage), PIT-PC (Photo-Induced Transient Photo Current), PICE (Photo-Induced Charge Extraction) and PIDC (Photo-Induced Differential Charging).

Preferred skills or background:

The PhD student background should be on (Bio)Physics or Physical Chemistry. The preferred skills are: ability to handle chromophore and protein solutions, experience in spectroscopic techniques, knowledge on programing software such as Python, Matlab and/or Labview.

Supervisor: Emilio Palomares

Project Title: Materials for energy

Number of positions: 2

Description of the project: Understanding the relationship between structure and performance of materials for energy applications

Tasks to be performed by the PhD student:

• Synthesis of organic, inorganic or hybrid materials by standard laboratory procedures
• Characterization of the structure and electrooptical properties of the material
• Deposition of the prepared materials onto adequate supports
• Analysis of the performance of the materials as catalysts or as transport materials in solar cells

Preferred skills or background:

strong background in the synthesis of organic and inorganic materials and in the deposition and characterization techniques

Supervisor: Julio Lloret Fillol

Project Title: AI-driven robotics for catalyst development

Number of positions: 1

Description of the project:

The exploration and optimization of catalytic materials is critical in developing clean energy, environmental remediation, and chemical synthesis. Traditional experimental methods, still are labor-intensive, slow, and constrained by human limitations. By combining robots, artificial intelligence, and real-time data analysis, AI-driven robotic automation provides a game-changing approach that speeds up the synthesis, characterisation, and optimization of catalysts.

An autonomous robotic solution driven by AI is intended to be developed in this thesis for the high-throughput synthesis, quick characterisation, and data-driven optimization of catalytic materials. Through the use of machine learning (ML), real-time analytical methods, and closed-loop optimization, the platform will improve catalysis research's productivity, repeatability, and understanding.

Tasks to be performed by the PhD student:

• Develop an AI-driven robotic system to automate catalyst research, improving improve efficiency, reproducibility, and scalability compared to manual methods.
• Enable high-throughput synthesis and significantly speed up discovery.
• Integrate real-time characterization techniques and closed-loop optimization together with machine learning for predicting properties and guiding experiments.
• Develop the needed software and hardware, and the documentaction and scientific publications.

Preferred skills or background:

• Knowledge of AI and Machine Learning, particularly in the context of predictive modeling and optimization algorithms (e.g., neural networks, random forests, Bayesian networks, Bayesian optimization, reinforcement learning).
• Familiarity with Robotic Automation and control systems, likely including experience with robotic arms and automated liquid handling systems.
• Experience or understanding of catalysis.
• Experience with relevant software and programming languages (ROS, Python, LabVIEW or MATLAB), data acquisition and processing (LabVIEW, PyMeasure, OpenLab CDS, Xcalibur), machine learning (Scikit-learn, TensorFlow, PyTorch, XGBoost, LightGBM, Chemprop, RDKit), optimization (BoTorch, GPflow), experimental design (JMP, Minitab, DoEpy), and potentially computational chemistry software (Gaussian).
• Ability to integrate hardware and software, including electronics and embedded electronics.
• Skills in data management and potentially cloud-based data storage

Supervisor: Prof. Ruben Martin

Project Title: Chain-Walking as Enabling Vehicle for Remote Functionalization

Number of positions: 1

Description of the project: In recent years, our group has made significant progress for harnessing the potential of chain-walking reactions for tackling the remote functionalization of distal, yet previously unfunctionalized, sp³ C–­H sites. Despite the advances realized, there are a number of daunting challenges that remain to be addressed. Among these, particularly important is the ability to install chirality throughout the chain-walk, the ability to expand our knowledge from acyclic hydrocarbons to macrocycles, and the means to dictate interrupted chain-walking scenarios at methylene sp³ C–H sites, thus overriding the proclivity for bond-formation at terminal positions within the hydrocarbon side-chain.

Tasks to be performed by the PhD student:

• Capable of decision making, creative thinking and problem solving
• Strong commitment for scientific research in a competitive environment
• Capable of working independently and as a member/leader in a research team
• Reliable in meeting commitments and deadlines
• Demonstrated experience in writing research results in scientific journals

Preferred skills or background:

• Master studies completed
• Expertise in organic synthesis
• Knowledge on organometallic catalysis
• Good command of English
• Leadership and responsibility in designing academic research projects

Supervisor: Beatriz Prieto Simón

Project Title: Wearable biosensing technology to guide antibiotic therapy

Number of positions: 1

Description of the project:

Therapeutic drug monitoring (TDM) of antibiotics determines plasma antibiotic concentrations to guide dosing regimens, as to maximise efficacy and minimise adverse side effects to improve patient care. This is especially relevant for antibiotics with a narrow therapeutic window. The analytical methods used to support TDM (e.g., immunoassays, liquid chromatography-mass spectrometry) are expensive and labor- and time-intensive, delaying therapeutic decisions. Therefore, there is a need to develop new diagnostics for TDM, with special interest in sensors allowing rapid measurements, and thus permitting multiple measurements per dose. Among sensors, electrochemical aptamer-based (E-AB) sensors are of special interest for TDM because they allow continuous operation directly in unprocessed biofluids. Indeed, the need to draw blood, limiting the number of measurements per dose and thus TDM efficacy, can be overcome using sweat or interstitial fluid (ISF) as alternative biofluids, being rich sources of biomarkers, accessible with low invasiveness, excluding interferents and eluding clotting issues. In this direction, wearable biosensing is of special interest, but this technology faces key challenges, i.e., biocompatibility, stability.

This project aims at designing bespoke arrays of porous polymeric micropillars (MPs) and microneedles (MNs) to build wearable E-AB sensors for antibiotics quantification in sweat and ISF. By combining the fabrication of MPs and MNs with tunable geometry and porosity, and advances in engineering surface functionalities, a suite of microstructures and chemistries will be delivered to create the next generation of wearable diagnostics able to confirm sweat and ISF diagnostic value for TDM of antibiotics, and support real time and calibration-free antibiotic monitoring.

Tasks to be performed by the PhD student:

- Read and review relevant literature;

- Design, fabricate, surface engineer and characterize polymeric microstructures, with tunable dimensions and shapes;

- Perform in vitro and in vivo biocompatibility and safety studies;

- Develop, optimize and evaluate the performance of E-AB sensors based on polymeric microstructures for antibiotic detection;

- Participate in a clinical study to compare the dynamics of antibiotics in plasma, sweat and ISF;

- Perform in vivo tests using the microstructured E-AB sensors for TDM of antibiotics;

- Write reports, publications and thesis;

- Attend group meetings and meetings with collaborators to discuss the progress of the project;

- Attend conferences workshops, etc, to present project results and seek new collaborations.

Preferred skills or background:

- Knowledge and, ideally, some research experience in materials (synthesis and characterization), electrochemistry, surface analysis, biochemistry, nanotechnology.

- Demonstrated experience working as part of a small team and promoting a collaborative environment.

- The candidate has to be highly motivated and used to work collaboratively.

Supervisor: Dr. Felipe Andrés Garcés Pineda

Project Title: Materials Engineering: Towards efficient and cost-effective electrolyzer technologies (ECOTECH)

Number of positions: 1

Description of the project:

The relatively higher cost of Ionic Exchange Membrane Electrolyzers (IEM) is largely due to the use of expensive materials such as titanium based bipolar plates, as well as platinum/iridium anti-corrosion coatings or electrode catalysts. Therefore, a key challenge for IEM technology is the development of cost-effective and durable components to reduce stack costs and facilitate large-scale applications. At the heart of the IEM electrolyzer is the stack, which is composed of hundreds of single cells. Each single cell includes bipolar plates (BPPs), porous transport layers (PTLs), and the membrane electrode assembly (MEA). Notably, BPPs account for approximately 53% of the overall stack cost and around 25% of total system costs. As such, reducing the cost of BPPs should be a primary focus for minimizing the expenses associated with IEM electrolyzers. Cost reductions for BPPs can be achieved through the development of more affordable materials and the adoption of reliable, scalable manufacturing methods. By addressing these material and manufacturing challenges, IEM electrolyzers have the potential to become a cost-competitive and scalable solution for green hydrogen production. Therefore, ECOTECH targets the development of a new generation of advanced alloys for use in electrolyzer technologies, with a particular focus on their application in bipolar plates and porous transport layers. By integrating these novel materials and structural design strategies with advanced electrochemical insights, the project aims to significantly enhance performance, durability, and cost-efficiency.

Tasks to be performed by the PhD student:

The PhD candidate will be responsible for the design, synthesis, and characterization of the developed materials. In addition, they will conduct fundamental electrochemical characterization and evaluate the materials in electrochemical devices, with a particular focus on water-splitting electrolyzers.

Preferred skills or background:

A chemist or a related profile with a strong background in materials science, complemented by experience in electrochemistry and corrosion testing protocols. Familiarity with vacuum melting systems for the preparation of tribological materials is highly desirable.