PhD scholarship in Molecular Thermodynamics for CO2 Storage Simulations - DTU Chemical Engineering

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PhD scholarship in Molecular Thermodynamics for CO2 Storage Simulations - DTU Chemical Engineering
  • Danmarks Tekniske Universitet
  • Anker Engelunds Vej 101, 2800 Lyngby-Taarbæk

Are you a talented and motivated student looking to join a world-leading research team? 

We welcome candidates to contribute to the advancement of next-generation molecular thermodynamics for multiphase weak electrolyte systems, especially those relevant to CO2 storage, as part of the grant “A new pathway for CO2 storage simulations based on the utilization of molecular thermodynamics (PAVECO2)” funded by Independent Research Fund Denmark. 

The position is scheduled to start on October 1, 2026, or as soon as possible thereafter, and the appointment will be at the Center for Energy Resources Engineering (CERE), within the Department of Chemical and Biochemical Engineering at the Technical University of Denmark (DTU).

Responsibilities and qualifications
Molecular thermodynamics plays a crucial role in the modelling, design, and optimization of various systems in product and process engineering. Despite significant progress made over the decades, existing thermodynamic models and theories still face significant challenges, for instance, for modelling CO2 storage processes, which involve multiple cations and anions, mineral precipitation and dissolution, broad ranges of temperature and pressure, and sometime more than one liquid phase. A single thermodynamic model with a single set of parameters capable of accurately describing these systems in a predictive manner has never been attempted.

This project aims (1) to develop a predictive and robust thermodynamic framework that systematically evaluates molecular thermodynamic theories and integrates them into a unified platform capable of accurately account for molecular interactions in electrolyte solutions, including complex chemical reactions; (2) to enable real-time CO2 storage process simulations by optimizing the framework’s computational robustness and efficiency.

We are looking for a person who can share our passion and interests in forefront research on molecular thermodynamics. You must have a relevant education in chemical engineering, chemistry, applied physics, or similar. We will rely upon your advanced knowledge of chemical thermodynamics and physics of mixtures. You must be self-motivated and passionate about mathematical and physical modelling and scientific computing. We also expect a high level of soft skills: working in a team, reporting, presenting, etc.

You must have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree.

Approval and Enrolment  
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see DTU's rules for the PhD education

Assessment
The assessment of the applicants will be made by Associate Professor Xiaodong Liang and Professor Georgios M. Kontogeorgis.

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and appointment terms
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. 

The period of employment is 3 years. The expecting starting date is 1 October 2026 or according to mutual agreement. 

You can read more about career paths at DTU here .

Further information  
Further information may be obtained from Associate Professor Xiaodong Liang (xlia@kt.dtu.dk ) and Professor Georgios M. Kontogeorgis (gk@kt.dtu.dk ).

You can read more about DTU Chemical Engineering at www.kt.dtu.dk. 

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark . Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar ” for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU. 

Application procedure 
Your complete online application must be submitted no later than 15 April 2026 (23:59 Danish time) . Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file . The file must include:

  • A letter motivating the application (cover letter)
  • Curriculum vitae 
  • Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it.

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

CERE  is an independent, university based, research unit with more than 45 years of expertise in the field. The CERE co-workers are a mix of internationally renowned scientists and the sharpest young talents from different scientific communities around the group. The research center unites experience with unique talent and educates tomorrow’s scientists and engineers. The education and training of MSc and doctoral students are some of the most important aspects of CERE’s activities.

At DTU Chemical Engineering  it is our mission to develop and utilize knowledge, methods, technologies, and sustainable solutions within: Chemical and biochemical process engineering and production, Design of chemical and biochemical products and processes, Energy and environment.

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.

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