The successful applicant will contribute to the development and implementation of multiscale models in first-principles condensed matter simulation packages. The starting framework of the planned research is represented by the Quantum Espresso package (www.quantum-espresso.org) and by the Environ (www.quantum-environ.org) library for continuum embeddings. The work will include the development of new features in Environ and the refactoring of the library for its coupling with other quantum and classical embedding approaches. The postdoctoral researcher will be involved in the application of the developed tools in the fields of materials design for photo-electrochemistry and photo-electrocatalysis. Regular dissemination of the research results through scientific publications and oral presentations in national meetings is expected. The job will include partial supervision of less experienced researchers (PhD and undergraduate students) and the collaboration with other national and international developers.