WASP-WISE Postdoc in machine learning for chemical process discoveries

We are now looking to appoint a postdoc in the field of Machine Learning and Computational Chemistry. 

This recruitment is linked to the Wallenberg AI, Autonomous Systems and Software Program (WASP) and Wallenberg Initiative Materials Science for Sustainability (WISE). WASP is a major national initiative for strategically motivated basic research, education and faculty recruitment. It is by far the largest individual research program in Sweden. WISE, funded by the Knut and Alice Wallenberg Foundation, is the largest investment in materials science in Sweden ever and will include major investments at Sweden's leading universities over the course of 10 years.  

Read more: WASP | Wallenberg AI, Autonomous Systems and Software Program and Start - WISE.

Work assignments 

Thin layers, or films, of various materials are of remarkably high technological importance for several aspects of our everyday lives. One main technology for making thin films is chemical vapour deposition (CVD) which is based on a flow of reactive gases containing the atoms needed for the film material and is typically understood via computational fluid dynamics (CFD). However, CFD simulations for CVD processes and the associated experiments are extremely costly (e.g., computation, gases, raw materials, and wastes) and usually lack uncertainty quantifications. The goal of this project is to integrate probabilistic machine learning methods and models to accelerate CFD computations and improve predictive modelling for CVD. We pay particular attention to methods driven by generative diffusion models, physics-informed neural networks, and probabilistic numerics.  

As postdoc, you will principally carry out research. A certain amount of teaching may be part of your duties, up to a maximum of 20% of working hours if desired. The duties also include contributing to the scientific discussion at the department, for instance by participating in and organizing reading groups and seminars and engaging in PhD supervision. You are expected to actively engage in the collaboration with the different project partners and to serve as a link between the involved departments. 

Qualifications

To be qualified to take employment as postdoc, you must have been awarded a doctoral degree or have a foreign degree that is deemed to be equivalent to a doctoral degree.  This degree must have been awarded at the latest by the point at which LiU makes its decision to employ you. 

It is considered advantageous if your doctoral degree is no older than three years at application deadline for this job. If there are special reasons for having an older doctoral degree – such as taking statutory leave – then these may be taken into consideration. 

We are seeking applicants who have a PhD degree in machine learning, statistics, scientific computing, computational chemistry, applied mathematics, or a related area that is considered relevant for the research topic of the project.  Candidates with background in machine learning or computational chemistry are both welcomed.  It is highly advantageous with research experience in one or more of the following areas.  

• Computational simulations of chemical processes (e.g., CVD). 

• Computational fluid dynamics or (probabilistic) numerical methods for PDEs. 

• Generative diffusion models. 

• Physics-informed neural networks. 

• Deep learning for chemistry. 

The position requires very good knowledge of both spoken and written English. 
Scholarly proficiency must have been demonstrated through original research resulting in publications in internationally recognised journals and conferences. Publications in statistics, machine learning, scientific computing, and computational chemistry, are particularly advantageous. The applicant should be skilled at implementing new models and algorithms in a suitable software environment, with documented experience. The applicant should furthermore have a strong drive towards performing fundamental research; the ability and interest to work in a team; and strong communication skills. 

The workplace

Linköping University is one of the leading AI institutions in Sweden. We have strong links to prominent national research initiatives, such as WASP, WISE, and ELLIIT and you will have access to state-of-the-art computing infrastructure for machine learning, e.g., through Berzelius. 

The position is formally employed by Division of Statistics and Machine Learning (STIMA) but is jointly hosted with Division of Chemistry (KEMI). The two divisions are physically located in the same building, which simplifies a tight collaboration. At STIMA we conduct research and education in both statistics and machine learning, at the undergraduate, advanced and PhD levels. We regularly publish solid contributions at the best machine learning conferences. STIMA is characterised by a modern view of the statistical subject, where probabilistic models are combined with computational algorithms to solve challenging complex problems, for instance, using generative diffusion models. At KEMI we are conducting research within all major areas of chemistry, of particular interest to this position is the strong research within chemical vapour deposition (CVD) and atomic layer deposition (ALD) with publications in the most important journals and talks at the most important conferences. The research spans from development of new processes for better step-coverage to new ways to use plasmas. We have a strong focus on in situ characterisation and control of surface chemical reactions. 

The employment

This employment is a temporary contract of two years with the possibility of extension up to a total maximum of three years. The employment is full-time.  

This WASP-WISE project officially lasts for one year, but the applicant may continue the research beyond this period or pursue a new research direction, subject to agreement. 

Starting date is as soon as possible, by agreement.

Salary and employment benefits

The university applies individual salaries.

More information about employee benefits is available here.

Union representatives

Information about union representatives, see Help for applicants.

Application procedure

Apply for the position by clicking the “Apply” button. Your application must be received no later than April 20, 2025. 
 
Applications and documents received after the date above will not be considered. 
 
Please attach your selected research publications electronically, in pdf or word format, in the application template. Research publications, e.g. monographs, which cannot be sent electronically should be sent in three sets by mail to the University Registrar at Linköping University, University Registrar, S-581 83 Linköping, Sweden. The publications must be received by Linköping University no later than the deadline for application. 

Please note that printed publications will not be returned. They will be archived at Linköping University. 
 
In the event of a discrepancy between the English translation of the job announcement and the Swedish original, the Swedish version shall take precedent.