Postdoctoral Researcher Position in Machine-Learned Interatomic Potentials for Hybrid Organic–Inorganic Perovskites University of Wisconsin-Madison in United States

Sandia National Laboratories is advertising a Postdoctoral Appointee in Atomistic Modeling / Machine Learning for its Computational Materials Science Department. The role focuses on combining density functional theory (DFT) , machine learning (ML/AI) , and atomistic simulation to accelerate multiscale modeling of reactive systems and catalysis. Research activities include building a high-throughput DFT workflow to sample chemical reactions, developing ML frameworks to predict reaction events, in...

The University at Buffalo is recruiting a Postdoctoral Associate in the Department of Materials Design and Innovation , working in the Peng Research Group . This is a research-intensive opportunity at the intersection of scientific AI , atomistic simulation , computational catalysis , and data-driven materials discovery . The successful candidate will contribute to a U.S. Department of Energy Genesis Mission project focused on developing closed-loop and agentic AI workflows for chemical-manufact...

TU Delft is advertising a PhD position in hydrogen embrittlement , atomistic simulation , and circular steels within the CIRHY project. The project focuses on understanding the atomic-scale mechanisms of hydrogen-defect interaction in recycled, compositionally complex steels, with the goal of designing steels that can safely operate in hydrogen environments. The research is based in the Faculty of Mechanical Engineering at Delft University of Technology and is embedded in a broad collaborative n...

Linköping University is advertising a PhD position in Materials Science at the Laboratory of Organic Electronics (LOE) in Norrköping, Sweden . The project sits in computational materials science and focuses on understanding and predicting coupled ionic and electronic transport in organic functional materials for sustainable energy technologies. The doctoral project will develop multiscale simulation methods that combine atomistic simulations, molecular dynamics, delocalized kinetic Monte Carlo, ...

King Fahd University of Petroleum & Minerals (KFUPM), Dhahran, Saudi Arabia, is recruiting postdoctoral researchers for the IRC for Advanced Materials in the research group of Abduljabar Alsayoud (Assistant Professor). The opportunity focuses on computational materials science, including density functional theory (DFT), molecular dynamics (MD), scientific AI, and data-driven modelling. The post is aimed at motivated researchers who can contribute independently and collaboratively to ongoing rese...