IMDEA Materials Institute is a public research organization founded in 2007 by Madrid’s regional government to carry out research of excellence in Material Science and Engineering by attracting talent from all over the world to work in an international and multidisciplinary environment. IMDEA Materials has grown rapidly since its foundation and currently includes more than 120 researchers from 22 nationalities and has become one of the leading research centers in materials in Europe which has received the María de Maeztu seal of excellence from the Spanish government. The research activities have been focused on the areas of materials for transport, energy, and health care and the Institute has state-of-the-art facilities for processing, characterization and simulation of advanced materials.

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IMDEA Materials Institute has an immediate opening for a doctoral research position on the topic of “Computational thermodynamics and kinetics for alloy design and process optimization”.

This is part of a large-scale collaborative project focused on leveraging artificial intelligence for the sustainable design of efficient alloys and processes. The overall objective of the project is to develop innovative digital methods for smart design, processing, and characterization of sustainable metallic materials with improved properties. The focus will be on several “near-net shape” fabrication (e.g. 3D printing) methods of steels. The project involves a national consortium of several (12) partners, including universities, research centres, and industries, with whom close collaborations are expected.

Within the scope of this collaborative project, the doctoral research project will focus on using state-of-the-art computational thermodynamics (e.g. CalPhaD) and kinetics (e.g. mean-field theories) in order to screen a broad range of alloy compositions and process parameters to predict resulting microstructures. These simulations, linking processing to microstructures, will be used to train artificial intelligence algorithms, and to feed in other models (e.g. simulations linking microstructures to properties). Simulations will be calibrated using experimental data generated by partners within the scope of the project.

Specifically, the PhD project will rely on using and developing computational models for microstructure formation and evolution, to be used for high-throughput exploration of alloy compositions and processing parameters. From the fundamental aspect, one important topic will relate to the consideration of parameter uncertainties, their propagation, and their effect on the resulting microstructure (and hence properties).

The student will learn essential concepts of alloy design, metallurgy, advanced manufacturing (e.g. 3D printing) of steels, advanced skills and hands-on expertise in scientific programming, computational thermodynamics (CalPhaD), and modelling of phase transformations. Whereas close collaborations with experimentalists are expected within the project, this specific PhD project will focus primarily on the development of computer simulations. Therefore, relevant candidates are expected to have background skills and interests in scientific programming, computational modelling, and/or mathematics applied to engineering problems.

• Master’s degree in mechanical engineering, metallurgical engineering, industrial engineering, materials science, materials physics, chemistry, chemical engineering, or equivalent.
• Experience or interest in the following field will be positively evaluated: computational modelling of materials (e.g. thermodynamics and kinetics), scientific programming, and applied mathematics for engineering.
• Scientific curiosity and attention to detail.
• English (written and oral) proficiency.

• Full-time employment and enrolment in a relevant doctoral programme.
• The doctoral contract is for a duration of 42 months.
• Position available immediately and open until filled.