PhD and PostDoc: codes development in computational spectroscopy. Bologna University.

PhD and PostDoc (junior or senior level) positions are now available to work on code/method development and applications in computational spectroscopy.

These positions are open within the framework of the European H2020-NMBP SimDOME project (SimDOME: Digital Ontology-based Modelling Environment for Simulation of materials; Call: H2020-NMBP-TO-IND-2018-2020; Topic: DT-NMBP-09-2018, GA 814492). SimDOME is a general collaborative experimental/theoretical effort involving several European academic teams and companies, performing codes development and experimental validation. Its aim is to bridge the gap between academia and productive environments by bringing available academic codes in materials modelling and molecular spectroscopies (TRL4) into operational productive environment to reach TRL 7. For that, intuitive user friendly interfaces need to be developed and the codes adapted as well to the needs of non-specialized users, and possibly interfaced with the hardware employed in the companies, by exploiting the ontological framework design for materials modelling by the European Materials Modelling Council.

Recruited people will develop user-friendly computational tools and methods, and will perform test case applications, for the accurate prediction of linear/non-linear electronic molecular spectroscopies in order to assist the design, synthesis and characterization of photoactive molecular materials and devices.

The work will be performed at the Department of Industrial Chemistry «T. Montanari» ( of Bologna University ( within the group of Computational Photochemistry and Functional Materials , under the supervision of Prof. Marco Garavelli (, and will involve interaction and cooperation with the POLIMI spin-off company NIREOS ( for experimental testing and validation, as well as with Fraunhofer ( that will coordinate software integration within the European Materials Modelling Marketplaces platforms.

The PhD position (3 years, 20 k€/year gross salary) will formally start 1 November 2019, but the selection will be finalized by May 2019. A background in programming is required. Skills in computational chemistry/photochemistry/spectroscopy are welcome.

PostDoctoral positions (1 year renewable up to 3 years, with a salary proportional to the experience starting from 25 k€/year gross salary) are immediately available. The ideal candidate must have a consolidated experience in scientific codes programming (with a preference in computational chemistry and molecular modelling codes), with a PhD (or equivalent experience) in programming. Experience in parallel coding as well as a background in computational photochemistry/photophysic, ranging from method developments to applications, is also welcome.

Exceptionally, a Research Associate (RTD-A) position (3 years position, 50 k€/year gross salary) may be also offered to most experienced and senior candidates. Autonomy and independence in decision making and research is required in this case.

Interested candidates are invited to send their CV, publications list and a presentation letter (two reference names should be also provided) to Short listed candidates will be invited for an interview.

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