PhD Position in Molecular Modeling of Nanoporous Materials and Confined Fluids at New Jersey Institute of Technology New Jersey Institute of Technology in United States

Argonne National Laboratory’s Materials Science Division is recruiting a Postdoctoral Appointee in Computational Chemistry at the Argonne campus in Lemont, Illinois, USA . The project focuses on computational materials chemistry , atomistic modeling , and the behavior of soft materials under operating conditions. The successful candidate will carry out nonequilibrium molecular dynamics (NEMD) simulations using conventional force fields and machine learning potentials , including foundation model...

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...

The Computational Chemistry research group at the Futuristic Science Research Center (FSRC), Walailak University, Thailand, is inviting new Ph.D. applicants through the Innovative Science and Technology (IST) Program. This opportunity is centered on computational chemistry and related research directions, including molecular dynamics (MD) simulations, density functional theory (DFT) calculations, catalysis and surface science, nanomaterials and functional materials, electrochemistry and energy m...

PhD opportunity at Nanyang Technological University (Singapore) in AI-enabled atomistic modelling of dynamic interfaces in alcohol electro-oxidation . This funded PhD project, supervised by Prof Zhichuan Jason Xu in the School of Materials Science and Engineering , focuses on understanding how catalyst reconstruction and interfacial proton transfer control alcohol electro-oxidation. The research is centered on nickel-based (oxy)hydroxides and aims to reveal how evolving catalyst structures influ...

Research Fellow in Computational Chemistry at the University of Southampton , United Kingdom. This is a postdoctoral opportunity in the School of Chemistry and Chemical Engineering , working as part of the group of Prof. Gill Reid and Em. Prof. John Dyke . The role sits within the EXPRESS Programme Grant (Exploiting Single Source Precursors for the Electrochemical Growth of Functional 1D and 2D Metal Dichalcogenide Semiconductors), a major interdisciplinary EPSRC-funded programme involving South...