Open PhD Scholarship Opportunity in Computational Chemistry at the Institute of Chemical Research of Catalonia (ICIQ)
Explore an exciting PhD Scholarship Opportunity in computational chemistry at ICIQ, Tarragona. Develop cutting-edge simulations for catalytic processes in energy and sustainability. Apply by Oct 27!

Are you passionate about cutting-edge research in computational chemistry? Here’s an incredible opportunity to advance your career at one of the world’s leading research institutions. The Institute of Chemical Research of Catalonia (ICIQ), located in the historic and picturesque city of Tarragona, Spain, is offering a PhD position focused on simulating complex catalytic processes in dynamic environments.
Position Overview
- Position:Â PhD Student in Computational Chemistry
- Research Area:Â Development of new collective variables for simulating complex catalytic processes in explicit and dynamic environments
- Duration:Â 4 years
- Starting Date:Â January 2025
- Institution: Institute of Chemical Research of Catalonia (ICIQ)
- Location:Â Tarragona, Catalonia, Spain
About ICIQ and Tarragona
The Institute of Chemical Research of Catalonia (ICIQ) is globally recognized for its leadership in chemical research. Located in Tarragona, a scenic city along the Mediterranean coast, just an hour by train from Barcelona, ICIQ provides an inspiring environment for scientific excellence. The city is renowned for its stunning coastal views, pleasant weather, and rich historical legacy. Its vibrant cultural scene and Roman ruins have earned it UNESCO World Heritage Site status, offering a perfect blend of professional and personal life for researchers.
Project Description
This PhD project will focus on the development and application of new computational tools to simulate catalytic processes, targeting fields like energy and sustainability. The project will:
- Develop new codes for the simulation of catalytic processes in complex, dynamic environments.
- Integrate these codes with established quantum chemistry software packages such as CP2K, Gaussian, and Gromacs.
- Involve close collaboration with experimental partners and active participation in multidisciplinary research teams.
Your work will contribute to sustainable solutions in the field of energy by advancing catalytic simulations that reflect realistic conditions, enabling more accurate predictions and applications.
Candidate Requirements
To excel in this role, candidates must meet the following criteria:
- Master’s Degree in Physical or Computational Chemistry, Physics, Chemical Engineering, Mathematics, or Computer Science.
- Proven experience in computational chemistry software such as CP2K, Gaussian, and Gromacs is essential.
- Strong programming skills in C++ and Python are highly desired.
- Excellent communication skills in English, both written and spoken, are mandatory.
This role is designed for candidates with a passion for computational chemistry who are eager to explore new methods in catalytic process simulation. Strong problem-solving abilities and an enthusiasm for interdisciplinary collaboration are key.
Why Join This Project?
This PhD opportunity offers a unique platform to work on high-impact research with real-world applications. By developing new computational methods for catalytic processes, you will be contributing to advancements in energy sustainability—an area of increasing global importance. At ICIQ, you will have access to world-class facilities, resources, and a diverse community of researchers committed to pushing the boundaries of chemical research.
How to Apply
Applications must be submitted through the ICIQ official recruitment platform between 30th September and 27th October 2024. To apply, visit ICIQ Careers Portal.
Application Details
- Submit a CV and a brief cover letter/motivation letter outlining your interest and suitability for the position.
- Candidates are also encouraged to contact Dr. Albert Solé-Daura in advance at asole@iciq.es to discuss the position or ask questions.
Why Tarragona?
Tarragona offers an extraordinary lifestyle, with its:
- Proximity to the Mediterranean Sea and pristine beaches
- Warm, sunny weather
- Rich cultural heritage, including well-preserved Roman ruins like the amphitheater
- A vibrant social and academic scene, with proximity to both Barcelona and the Pyrenees Mountains for weekend explorations.
This opportunity at ICIQ is perfect for those seeking to combine a rewarding PhD career with an enriching life experience in one of Spain’s most charming and historically rich cities.
Don’t miss the chance to be part of this groundbreaking project in computational chemistry!