The Theory and Simulation Group at ICN2 and the Electronic Structure of Materials’ Lab at ICMAB, in Barcelona (Spain), are looking for outstanding candidates to fill a permanent (indefinite) full-time senior position at ICN2 for the development of SIESTA, an ab-initio materials simulation code. SIESTA’s versatility and efficiency have placed it in a position of relevance in a number of research areas, and its involvement in high-profile international projects (e.g. the EU MaX Center of Excellence) and other initiatives (e.g. CECAM’s Electronic Structure Library (ESL)) have significantly expanded the scope and complexity of the software development effort.

The successful applicant will be expected to

  •  Play a leading role in the coordination and steering of the software development work in the Siesta ecosystem.
  •  Maintain fluid communication with the expanding network of Siesta developers and contributors, to handle coding plans and merge requests.
  •  Maintain high standards of documentation, testing, and deployment.
  •  Interface to the international initiatives in which Siesta is actively involved (the MaX EU Center of Excellence, the Electronic Structure Library, etc.)
  •  Follow best practices for continuous improvement of the development tools and workflow.
  •  Understand the relevance to the project of new developments in the wider fields of electronic-structure simulation methods and high-performance computing.

We seek applicants whose profile features:

  • PhD-level training in computational materials physics/chemistry with ab-initio methods.
  • At least two years of experience in post-doctoral research in the field.
  • Past significant involvement in the development of a first-principles electronic-structure simulation code. Working knowledge of the internals of Siesta would be ideal.
  • Strong coding skills. Proficiency in Fortran programming is a must, as is advanced knowledge of MPI-based parallelization techniques. Candidates with no demonstrated experience will not be considered.
  • Expertise in the handling of modern software engineering tools: version control and development platforms, build and deployment systems, documentation methods.
  • Ability to communicate efficiently in fluent spoken and written English and to manage multiple threads of interaction.
  • Initiative to keep abreast of key developments in the field.
  • Strong motivation to advance the state of the art in materials simulation.

Salary will depend on qualifications and demonstrated experience. Women are strongly encouraged to apply. The position will remain open until filled.

To apply, please use the ICN2’s website: