About us
The Faculty of Natural, Mathematical & Engineering Sciences (NMES) comprises Chemistry, Engineering, Informatics, Mathematics, and Physics – all departments highly rated in research activities and a wide-ranging portfolio of education programmes.
Celebrating diversity and supporting staff is important to us and we offer a range of provision including flexible working, caring support (including a Parenting and Carers Fund and the Carer’s Career Development Fund), training, and a variety of diversity and inclusion networks. Staff can apply for flexible working to help them balance the demands of their professional and personal commitments and we offer comprehensive leave policies for parental, adoption, surrogacy, dependant and shared leave.
The university is making investment in NMES, and both student and staff numbers are growing. Our staff come from over 45 countries and 56% of our students are from outside the UK.
About the role
The research group of Dr Micaela Matta is seeking to appoint a highly motivated and experienced postdoctoral research associate in computational materials chemistry.
The position is funded by the 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 AI, 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.
This is a full time post (37.5 hours per week), and you will be offered an a fixed-term contract for 2 years.
About you
To be successful in this role, we are looking for candidates to have the following skills and experience:
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 materials chemistry, materials discovery and/or organic electronics
- Demonstrable experience in applying ML/AI to computational chemistry
- Demonstrable experience in developing/applying computational workflows for large datasets
- Demonstrable experience in managing, deploying and documenting Python packages
Downloading a copy of our Job Description
Full details of the role and the skills, knowledge and experience required can be found in the Job Description document, provided at the bottom of the page. This document will provide information of what criteria will be assessed at each stage of the recruitment process.
* Please note that this is a PhD level role but candidates who have submitted their thesis and are awaiting award of their PhDs will be considered.