"Postdoc Position in Molecular and Material design"

Join our team! We are looking for a candidate to fill an open postdoctoral position in a joint project between the groups of Dr. Alessandra Candian and Dr. Daniela Huppenkothen (both API) and Prof. Wybren Jan Buma (HIMS), funded by the Molecular and Materials design program (MMD Hub) of the Faculty of Science at UvA.

What are you going to do? The aim of the project is to use advanced Machine Learning techniques to predict the anharmonic vibrational spectra of large Polycyclic Aromatic Hydrocarbon (PAH) molecules. PAHs with size larger than 40 carbon atoms are widespread in astronomical environments and are responsible for a family of vibrational emission features dominating the spectra of entire galaxies. Anharmonic spectra for PAHs can be calculated using 2nd order Vibrational Perturbation Theory on Density Functional Theory derived Quartic Force Fields but are computationally very expensive when considering the size of PAHs relevant for astronomy and the large number of possible isomers. This is where machine learning techniques can help.

• You will collect and homogenize the available anharmonic DFT calculations of PAHs available in the team
• You will implement neural networks based on PAH molecular structure to predict their anharmonic spectrum
• You will test the accuracy of topological descriptors and neural network for the task comparing with available experimental results
• You will conduct research, communicate results via peer-review publication and at conferences
• You will be a proactive member of the research group and have the opportunity to co-advise research projects of MSc and BSc students
• You will contribute to creating an open, safe and inclusive working environment

Your profile: A Ph.D. in chemistry, physics, astronomy, computer science or a related field completed upon your arrival. A committed researcher, demonstrated by previous research experiences, publications and presentations at international conferences. Experience with using neural networks and topological descriptors for molecules or materials. Excellent communication and writing skills in English. The ability to work both independently and collaboratively in a multidisciplinary environment.

Our offer: We offer a temporary employment contract for 38 hours per week for a period of 12 months. The preferred starting date is as soon as possible. Support with writing applications for a personal Postdoc grants will be given as well. The gross monthly salary, based on 38 hours per week and dependent on relevant experience, ranges between €3,546 to €5,538 (scale 10). This does not include 8% holiday allowance and 8.3% year-end allowance. The UFO profile name and level are applicable. The Collective Labour Agreement of Universities of the Netherlands is applicable. Where you will work: The Faculty of Science has a student body of around 8,000, as well as 1,800 members of staff working in education, research, or support services. Researchers and students at the Faculty of Science are fascinated by every aspect of how the world works, from elementary particles to the birth of the universe to the functioning of the brain. The Anton Pannekoek Institute for Astronomy (API) furthers research, teaching and public understanding of astronomy. It conducts astronomical research and trains astronomers from bachelor to postdoctoral level, aiming at world-leading levels and activities.