Postdoc position on development and application of density functional based and molecular dynamics methods, University of Iceland

9 Feb 2025
Job Information

Organisation/Company

University of Iceland, School of Engineering and Natural Sciences

Department

Chemistry Division of the Institute of Physical Sciences

Research Field

Chemistry » Physical chemistry
Chemistry » Computational chemistry
Chemistry » Reaction mechanisms and dynamics
Physics » Chemical physics

Researcher Profile

Recognised Researcher (R2)

Positions

Postdoc Positions

Country

Iceland

Application Deadline

9 Mar 2025 - 23:59 (UTC)

Type of Contract

Temporary

Job Status

Full-time

Is the job funded through the EU Research Framework Programme?

Not funded by a EU programme

Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

A postdoc position is available in the physical and theoretical chemistry group (https://theochemui.github.io/theochem-web/ ) at the Science Institute of the University of Iceland. The project is supervised by Research Assistant Profs. Elvar Ö Jónsson and Gianluca Levi, as well as Prof. Hannes Jónsson, and are funded by grants from the Icelandic Research Fund. 

The selected candidate will contribute to the development of density functional and molecular dynamics methodologies, their implementation in atomic-scale simulation software packages (e.g. GPAW), and application in simulations of molecular and condensed-phase systems of interest for catalysis and energy conversion. Depending on the scientific background and interests of the candidate, the focus of the project may be on development and application of (i) self-interaction corrected density functionals, (ii) multiscale simulation methods, especially polarizable embedding solvation models, or (iii) orbital-optimized density functional methods for excited states. The applications can include calculations of surface catalytic processes (e.g. CO2 electrochemical reduction), solvation dynamics, excited states and simulations of the photoinduced dynamics of novel photoactive complexes, such as photo-driven molecular motors and biomimetic photosynthetic compounds. The project may involve collaborations with experimental groups abroad performing time-resolved experiments at synchrotrons and X-ray free electron laser facilities. 

Where to apply

E-mail

giale@hi.is

Requirements

Research Field

Chemistry » Physical chemistry

Education Level

PhD or equivalent

Research Field

Physics » Chemical physics

Education Level

PhD or equivalent

Skills/Qualifications

We seek outstanding and highly motivated candidates with the ability to work both independently and in a team. Candidates must hold or be about to obtain a PhD in Chemistry, Physics, or related field. A solid background in theoretical/computational physics or chemistry, as well as good programming skills are required. Experience with electronic structure calculations and/or molecular dynamics simulations is desirable. Excellent communication skills are essential.

Additional Information
Benefits

The selected candidate will join a dynamic and collaborative research environment at the forefront of the development of theoretical and computational methods for atomic-scale modelling, including density functional based techniques, molecular dynamics, and multiscale simulation approaches. We have extensive international collaborations with both theoretical and experimental groups.

The research will take place in a scientifically stimulating, international environment alongside other PhD students and postdocs, and high-profile international collaborators. Access to extensive computational resources is provided through the Icelandic Research e-Infrastructure (IREI) project, which includes clusters with thousands of CPU and GPU cores.

Selection process

Interested applicants are encouraged to send the following documents directly to Elvar Ö Jónsson  (elvarorn@hi.is ) and Gianluca Levi (giale@hi.is ): cover letter (max. one page) describing the scientific background and how it aligns with the project, CV including list of publications, list of two academic references who can provide letters of recommendations, including their contact details and affiliations.

Additional comments

The Postdoc appointment is initially for one year with possibility of extension. The salary is highly competitive, and funding is provided for attending international conferences and for research visits abroad.

Work Location(s)

Number of offers available

1

Company/Institute

University of Iceland

Country

Iceland

City

Reykjavík

Geofield

Contact

City

Reykjavík

Website

https://scienceinstitute.hi.is/is/rannsoknir/efnafraedi
https://theochemui.github.io/theochem-web/

Street

Dunhagi 3

Postal Code

107

E-Mail

giale@hi.is

STATUS: EXPIRED

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