A predoctoral position is available in the Electrochemical Processes Unit in the IMDEA Energy institute in Madrid (Spain). The position is focused in the computational design of new materials for energy storage applications. The candidate will work under the supervision of Dr. Andreas Mavrantonakis.

Tasks Description: The candidate will apply computational modelling techniques (Density Functional Theory - DFT, Wave-function theory, Molecular Dynamics) for:

• The calculation of important electrochemical properties (redox potentials, solvation energies) of molecules in solutions.
• The identification of the solvation sphere of organic molecules, cation and anions in concentrated solutions.
• Discovery of new porous materials for applications in metal ion batteries.
• Identifying structure-activity relationships.
• Close collaboration with experimental groups at IMDEA Energy.
• Participation in E.U funded research projects.

Requirements:

• Master's degree in chemistry, material science (or related disciplines), and possess a good understanding of physical chemistry 
• Fluent oral and written communication skills in English .

Additional merits:

• Experience with Electronic Structure Calculations (Density Functional Theory, Wave-Function Theory) or Molecular Dynamics.
• Knowledge of electrochemistry.

The position is available from July 2022. Initial appointment will be done for 1 year, with possibility of annual renewals up to 4 years, depending on performance and availability of funds.

For further information about the position, please contact:  Dr. Andreas Mavrantonakis ([email protected])