Applications are invited for a PhD fellowship/scholarship at Graduate School of Natural Sciences, Aarhus University, Denmark, within the Chemistry programme. The position is available from August 2026 or later.
Title:
The Role of Oxygenated Organic Molecules in Atmospheric New particle Formation
Research area and project description:
Massive quantities of volatile organic compounds (VOCs) are continuously emitted into our atmosphere from both biogenic and anthropogenic sources. When entering the atmosphere, the majority of VOCs are transformed into less volatile species via oxidation reactions. This leads to a myriad of different oxygenated organic molecules (OOMs) being present in the air.
OOMs have received extensive attention in the field of atmospheric chemistry due to their implications in the formation and growth of aerosol particles, resulting in new particle formation (NPF) in the atmosphere. NPF leads to the majority of aerosols (up to 90%) and as designated by the recent IPCC report, aerosols persist as the largest uncertainty in global climate estimation.
The NPF process is believed to occur via the formation of stable hydrogen bonded molecular clusters usually involving low volatile species such as sulfuric acid and bases. OOMs have been inferred to participate in the initial cluster stabilization process, but their exact role is highly uncertain. This is mainly caused by the fact that the exact chemical structure of the OOMs involved in NPF remain unknown, as OOMs are extremely difficult to measure using current experimental techniques.
This project will investigate the role of OOMs in atmospheric NPF using quantum chemical methods, machine learning and cluster dynamics simulations. The project will specifically:
1) Further develop the recently outlined “cluster-of-functional-groups” approach (https://doi.org/10.5194/ar-2-123-2024) to reverse engineer the potential structure of OOMs involved in atmospheric NPF.
2) Develop and apply machine learning (ML) models for studying large OOM dimers.
3) Study cluster formation dynamics of OOM clusters to simulate NPF rates.
Depending on the interest of the candidate the division between different elements in the project (QC calculations, ML, coding, ect) can be tailored accordingly. The candidate will have the opportunity of spending time abroad in an international research group and attending international conferences throughout the project. In addition, the computational atmospheric chemistry group has extensive collaboration with in-house groups via the center of excellence “center for chemistry of clouds” (https://chem.au.dk/forskning/forskningscentre-og-projekter/center-for-chemistry-of-clouds).
Interested applicants should contact associate professor Jonas Elm, before applying.
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Qualifications and specific competences:
Applicants to the PhD position must have or soon complete either: a master’s degree (5+3 scheme) or a bachelor’s degree plus one year of master’s studies (4+4 scheme), within Chemistry, Physics, Nanoscience or related fields.
The successful candidate should have a strong interest in applying quantum chemical calculations for studying molecular systems of atmospheric relevance. The candidate should have previous experience with electronic structure theory methods such as density functional theory and coupled cluster and have basic knowledge of computer programming (e.g., Python). Explicit knowledge about atmospheric chemistry is not required but will count positively in the assessment.
The ability to work independently and having good communication skills are expected.
Place of employment and place of work:
The place of employment is Aarhus University, and the place of work is Department of Chemistry, Langelandsgade 140, 8000 Aarhus C, Denmark.
Contacts:
Applicants seeking further information for this project are invited to contact: Associate Professor, Jonas Elm, jelm@chem.au.dk.
How to apply:
For information about application requirements and mandatory attachments, please see the Application guide. Please read the Application guide thoroughly before applying.
When ready to apply, go to https://phd.nat.au.dk/for-applicants/apply-here/ (Note, the online application system opens 1 March 2026)
Please note:
At the Faculty of Natural Science at Aarhus University, we strive to support our scientific staff in their career development. We focus on competency development and career clarification and want to make your opportunities transparent. On our website, you can find information on all types of scientific positions, as well as the entry criteria we use when assessing candidates. You can also read more about how we can assist you in your career planning and development.
Aarhus University’s ambition is to be an attractive and inspiring workplace for all and to foster a culture in which each individual has opportunities to thrive, achieve and develop. We view equality and diversity as assets, and we welcome all applicants. All interested candidates are encouraged to apply, regardless of their personal background.
