PostDoc - Theoretical investigation of dynamical properties within clathrate hydrates (Closed)

Post-doctoral position
Position category: PostDoc
Reference: 2023/99
Duration: 3 years
Application deadline: 2023/10/21
For more info contact the supervisors:
Daniel Sanchez-Portal
How to apply

We are currently accepting applications for the above mentioned position. This is a unique opportunity for junior researchers with a recent PhD degree in Physics or related fields to join one of DIPC’s high-profile research teams.

The role

The postdoctoral researcher will use electronic structure methods, classical force fields and multi-scale simulations to study the structural and dynamical properties of several clathrate hydrates of experimental relevance in the context of carbon capture and energy storage (involving H2). The diffusion mechanisms of different guest species will be tackled by means of classical molecular dynamics simulations at the atomic scale. The use of forcefields based on neural network will be explored to improve the accuracy of the simulations. We will also consider the problem of proton transport in acid hydrates. Thermodynamics modelling and effective models will be used to study the system properties at the meso- and macroscopic scales, hence allowing to investigate the influence of interfaces (ice-clathrate, water-clathrate) on diffusion processes.

The researcher should have an excellent background in theoretical physical–chemistry and training in molecular simulations and thermodynamics modelling. Experience with ab initio/DFT methods will be also highly appreciated.

Desired background & competences

The researcher should hold a PhD degree on physics or chemistry, an excellent background in theoretical physical-chemistry and proven experience on molecular dynamics simulations.

Working conditions

  • Contract duration: 1 year (possibility to extend up to 3 years)
  • Estimated annual gross salary: Salary is commensurate with qualifications and consistent with our pay scales
  • Target start date: 2023/12/01

We provide a highly stimulating research environment, and unique professional career development opportunities.

We offer and promote a diverse and inclusive environment and welcomes applicants regardless of age, disability, gender, nationality, ethnicity, religion, sexual orientation or gender identity.

The center

DIPC is a research center whose mission is to perform and catalyze cutting-edge research in physics and related disciplines, as well as to convey scientific culture to society. Located in Donostia / San Sebastian (Basque Country, Spain), DIPC was born from a strategic alliance of both public institutions and private companies. Since 2008 DIPC is a 'Basque Excellence Research Center' (BERC) recognized by the Basque Government's Department of Education. In 2019, DIPC was also recognized as a "Severo Ochoa" Excellence Center by the Spanish Research Agency.

About the team

The researcher will work in close collaboration with Prof. Daniel Sanchez-Portal at DIPC and Centro de Física de Materiales (CSIC-UPV/EHU) in San Sebastián (Spain) and Prof. Arnaud Desmedt at Institut des Sciences Moléculaires (ISM), Université de Bordeaux and CNRS, Bordeaux (France). Prof. Sanchez-Portal is a specialist on electronic structure simulations and leads the group of “Modelisation & Simulation” at CFM. Prof. Desmedt is a renowned experimentalist working on clathrate hydrates and leads the group of “Molecular Spectroscopy” at ISM. This project falls in the frame of the Transborder Lab “Quantum Chem Phys” International Laboratory initiative.

How to apply

Interested candidates should submit an updated CV and a brief statement of interest to the following application email below. 

Reference letters are welcome but not indispensable.

The reference of the specific opening to which the candidate is applying should be stated in the subject line, and the application must be received before the application deadline.

Although candidates are welcome to contact the project supervisors to know further details about the proposed research activity, please be aware that the application will be evaluated only if it is submitted directly to the email address listed below as application email.

Selection process

Applications received by the deadline will be evaluated by a Committee designed by the DIPC board on the basis of the following criteria:

  • CV of the candidate (40%)
  • Adequacy of the candidate’s scientific background to the project (40%)
  • Reference letters (10%)
  • Other: Diversity in gender, race, nationality, etc. (10%)

Evaluation results will be communicated to the candidates soon after. Positions will only be filled if qualified candidates are found.

The DIPC may revoke its decision if the candidate fails to join by the appointed time, in which case the position will be awarded to the candidate with the next highest score, provided it is above 50 (out of 100).

However, the selected candidate may keep the position if, in the opinion of the Selection Committee, the candidate duly justifies the reasons why he or she cannot join before the specified deadline, and as long as the project allows it.




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The resolution of this opening has been already published. You can download it here.