Prediction of Mechanical Behaviors of Heat-Resistant Structural Alloys Using Digital Twin Technologies National Energy Technology Laboratory (NETL) 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...

At Delft University of Technology, this postdoctoral project explores how biobased, thermally debondable adhesives interact with fibre-reinforced polymer composites at the atomic scale. The work sits within the Computational Materials Science section in the Faculty of Mechanical Engineering, where Team Dey applies advanced atomistic simulations to materials for sustainable energy and circular materials technologies. You will investigate adhesive-composite interfacial interactions and mechanical ...

Friedrich Schiller University Jena is seeking a research associate for a doctoral qualification project in theoretical chemistry and computational materials modelling within the working group of Prof. Doreen Mollenhauer at the Institute of Technical Chemistry and Environmental Chemistry. The position contributes to the DFG-funded project “Proton Conductivity in Solid Electrolytes for Advanced Low-Temperature Electrochemical Ammonia Synthesis” , part of the SPP 2370 “Nitroconversion” Priority Pro...

Oak Ridge National Laboratory (ORNL) is recruiting a Postdoctoral Research Associate in modeling reaction chemistry in condensed-phase systems . The position is based in the Chemical Dynamics Group, Chemical Transformation Section, Chemical Sciences Division, Physical Sciences Directorate at ORNL in Oak Ridge, Tennessee, United States . The research focuses on computational chemistry , reaction chemistry , molecular dynamics , statistical mechanics , Markov-state models , density functional theo...

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...