Developing Charge-Aware Machine Learning Potentials for Electrochemical Applications Imperial College London in United Kingdom

PhD opportunity at the University of Southampton in simulations of sodium-ion battery materials , with a focus on atomistic modelling , AI methods , and continuum modelling . The project is part of the Faraday Institution battery multiscale modelling (MSM) project and is aimed at understanding and improving sodium-ion battery performance, especially through the study of hard carbon anodes . The research will use large-scale density functional theory (DFT) with ONETEP , together with machine-lear...

The School of Chemistry at the University of St Andrews, in collaboration with industrial partner Johnson Matthey, is advertising 4 fully funded international PhD studentships in a platinum group metals (PGM) cluster. The cluster is focused on materials chemistry and aims to deliver cutting-edge advances in PGM-based materials and compounds, supported by state-of-the-art structural, physical, and microstructural characterisation facilities and links to central facilities. Research projects avail...

University of Exeter is inviting applications for 2 PhD studentships in Computational Nanomaterials under the ERC Starting Grant kineticSHAPES: Kinetic Pathways to Control Nanocrystal Shapes . The project focuses on the non-equilibrium growth of nanocrystals and how crystal lattice effects and solution concentration fields influence morphological features such as twinning, branching, and chirality . The research is strongly computational and will involve developing and using a kinetic Monte Carl...

ICMAB-CSIC is advertising a postdoctoral position in Modelling of Organic Materials within the DOMMINO Project . The opportunity is hosted by the Institut de Ciència de Materials de Barcelona (ICMAB-CSIC) , located at the UAB campus in Bellaterra (Barcelona), Spain. The post is focused on research in materials science , with strong relevance to chemistry , physics , and computational modelling of organic materials. Application deadline: 20 September 2026. No funding details, eligibility requirem...

We are hiring a Computational Materials Scientist to join Amentum UK and International and work within a growing Multiscale Materials Modelling team. The role focuses on atomistic simulations and computational approaches to support mechanistic understanding of materials in reactor environments, with particular attention to fuel and cladding materials. Relevant study areas and skills include materials science , mathematical modelling , computational chemistry , molecular dynamics (e.g. LAMMPS, GR...