3-year EPSRC-funded Postdoctoral Research Associate Data-driven Design of Organic Mixed Conductors, King's College, London, UK

The research group of Dr Micaela Matta at King's College London Department of Chemistry is seeking to appoint a highly motivated and experienced postdoctoral research associate in computational materials chemistry. The full job post and link to apply can be found at: bit.ly/3U9cGXg .
The position is funded by the 3-year EPSRC project “Data-driven design of organic mixed conductors”.
Mixed ionic/electronic conducting materials are being developed for applications in bioelectronics, biosensing, energy storage and neuromorphic computing. However, the lack of general structure-property relationships is a bottleneck for systematic material development. In this project, the candidate will conduct a high throughput computational screening of novel organic mixed ionic/electronic conductors leveraging cheminformatics, quantum chemistry, and molecular dynamics simulations. The candidate will work in close collaboration with experimental groups providing validation/testing of novel mixed conducting materials.
The project has a strong emphasis on software development; the candidate will develop and maintain workflows and datasets related to the project according to FAIR principles, supported by Dr Matta and KCL’s E-Research Team.

Essential criteria:

- Hold a PhD in Chemistry, Materials science, Physics or equivalent.
- Demonstrable experience in either atomistic molecular dynamics simulations or quantum chemistry/density functional theory calculations
- Demonstrable programming skills
- Strong track record (commensurate to experience)
- Excellent communication skills and team work attitude

Desirable criteria:

- Demonstrable experience in applying machine learning tools to computational chemistry
- Demonstrable experience in developing/applying computational workflows for large datasets
- Demonstrable experience in managing, deploying and documenting Python packages

For informal enquiries, contact Dr Micaela Matta at micaela.matta@kcl.ac.uk.
Deadline 12th November 2024