Postdoctoral Associate in Agentic AI and Computational Catalysis at University at Buffalo University at Buffalo in United States

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...

Lawrence Berkeley National Laboratory is advertising a postdoctoral position in the Energy Technologies & Systems Division in Berkeley, California, USA . The role sits in the Jain (HackingMaterials) group and the Applied Energy Materials group , working on autonomous AI-driven materials discovery and catalyst discovery across two DOE/ARPA-E projects. Research themes include building simulation agents to predict materials properties such as Li-ion conductivity , validating predictions against aut...

Postdoctoral opportunity at Mohammed VI Polytechnic University (UM6P), Morocco in computational catalysis, machine learning, and reaction kinetics . The Materials Science, Energy, and nano-engineering (MSN) department at UM6P is seeking a postdoctoral researcher to develop first-principles microkinetic models for heterogeneous catalytic reactions, supported by machine-learned interatomic potentials fine-tuned on in-house DFT data. The research focuses on catalytic systems such as ammonia synthes...

University of Florida is advertising a Postdoctoral Associate position in the Department of Chemistry at the Main Campus in Gainesville, Florida, United States . The project is led by Dr. Ramon Miranda Quintana and focuses on unsupervised and generative machine learning for chemical applications, with emphasis on representation learning , generative methods , and hyper-efficient unsupervised learning techniques for chemistry. This opportunity is aimed at candidates with a PhD in Chemistry or a r...

Oak Ridge National Laboratory (ORNL) is recruiting a Postdoctoral Research Associate in computational materials science , with a scientific focus on the chemical and physical properties of molten salt liquids relevant to fission and fusion reactors . The project centers on the speciation and transport of tritium in molten salt blankets using ab initio quantum simulations , machine learning potentials , and statistical mechanical theory . The role is embedded in the National Center for Computatio...