Postdoctoral Researchers in AI-driven Atomistic Modeling and AI-Accelerated Cheminformatics Aalto University in Finland

University at Buffalo is hiring a Postdoctoral Associate in Agentic AI × Computational Catalysis within the Peng Research Group . The position sits at the intersection of scientific AI , first-principles atomistic simulations , computational catalysis , and data-driven materials discovery , with primary support for the DOE Genesis Mission project. The postdoc will also benefit from access to world-class AI computing through Empire AI and collaboration with a multi-institutional DOE team. This op...

Lawrence Berkeley National Laboratory is recruiting a Postdoctoral Researcher in Scientific Machine Learning & Computational Chemistry within the Applied Mathematics and Computational Research Division. This postdoctoral opening sits at the intersection of machine learning, computational chemistry, computational physics, and scientific software development . The research focuses on physics-informed and symmetry-aware models for excited-state simulations, including equivariant graph neural networ...

Stony Brook University’s Department of Geosciences is advertising a Postdoctoral Associate position in the United States (Stony Brook, New York). The project focuses on the melting behavior and physical properties of geological materials under conditions relevant to planetary interiors, combining density functional theory , molecular dynamics , and machine-learning interatomic potentials . The successful candidate will generate DFT reference data, train and validate ML force fields, run large-sc...

Maynooth University in Ireland is advertising a PhD opportunity in coarse-grained and mesoscale modelling of polymer-hybrid anion-exchange membranes within the SUSAS group . The project focuses on developing and designing advanced membranes for electrochemical energy , combining multiscale modelling , data-driven design , and experimental validation . This is a strong fit for students interested in computational chemistry, materials science, chemical engineering, and related modelling-heavy rese...

Technical University of Denmark (DTU) is advertising a postdoc in focusing neutron optics in Copenhagen, Denmark. The project sits at the intersection of physics , materials science , neutron optics , and X-ray optics , with a strong computational and experimental component. The research aims to develop and implement a focusing neutron optics prototype based on a nested Wolter condenser. The goal is to increase neutron flux for neutron scattering and imaging methods, potentially by up to a facto...