PhD in AI-Enabled Atomistic Modelling of Dynamic Interfaces in Alcohol Electro-Oxidation Nanyang Technological University in Singapore

Postdoctoral Research Associate in Electrocatalysis at the University of Sydney, School of Chemical and Biomolecular Engineering. This is a full-time, fixed-term postdoctoral position for 2 years, based in Darlington, Australia, contributing to externally funded GETCO2 projects and collaborating with experimental researchers. The role focuses on computational electrocatalysis, including first-principles/DFT studies of electrocatalytic reactions, catalyst surfaces and interfaces, reaction mechani...

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...

The Neurock Research Group at the University of Minnesota is hiring a Postdoctoral Associate in computational electrocatalysis . The project focuses on the application and development of ab initio methods , molecular dynamics , and kinetic Monte Carlo simulations to study electrocatalytic oxidation and reduction reactions at electrode/electrolyte/solvent interfaces . A major research theme is the electrocatalytic oxidation of N2 to nitrate , including selective oxidation of N2 over H2O and the r...

PhD fellowship in Theoretical Catalysis at the Department of Chemistry, Faculty of SCIENCE, University of Copenhagen . The project is rooted in the Theory group and connected to the Center for High Entropy Alloy Catalysis (CHEAC) and the ERC Synergy project DEMI . Research topics include electrocatalysis , high entropy alloys , catalyst stability/metastability, density functional theory , statistics, machine learning , and dynamics. Two PhD fellowships are advertised. One project focuses on cata...