PhD Studentship in Molecular Crystal Polymorphism, Statistical Mechanics, Molecular Simulation, and Machine Learning University College London in United Kingdom

Imperial College London is advertising a 3-year postdoctoral position in the Department of Chemistry focused on Automation and Machine Learning for Polymer Nanogel Discovery . The role is part of a larger collaborative project and team involving Becky Greenaway , Kim Jelfs , and Nazila Kamaly . This opportunity is especially relevant for researchers with interests in chemistry , materials science , automation , machine learning , and automated workflows for discovery science. The post is a resea...

Freie Universität Berlin is advertising a PhD position in the research group of Bettina G. Keller , Professor for Theoretical Chemistry. The project is centered on theoretical chemistry , computational chemistry , molecular dynamics , rare events , molecular kinetics , statistical mechanics , scientific computing , and machine learning . The position is a 4-year research assistant (praedoc) role at 65% TV-L E13 , offering a salaried employment contract in an international and collaborative resea...

Immediate postdoctoral researcher openings are available in the group of Shyam Kattel at the University of Central Florida . The position is centered on theoretical heterogeneous catalysis and the modeling of electrochemical reactions on surfaces and interfaces . Successful candidates should bring experience in first-principles density functional theory (DFT) , grand canonical DFT (GC-DFT) , microkinetic modeling , kinetic Monte Carlo simulations , and machine learning methods . The group also v...

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...

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...