Doctoral Student in Theoretical Chemistry KTH Royal Institute of Technology in Sweden

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...

This Monash–Bayreuth double PhD project sits within an international joint doctoral program linking Monash University and the University of Bayreuth. The successful candidate will be based at Monash’s Clayton campus and undertake an extended research stay in Germany as part of a collaborative, cross-continental doctoral experience. The project is focused on accelerating the discovery and design of next-generation organic semiconductor materials with tailored optoelectronic properties. You will w...

Monash University is advertising a double PhD degree opportunity with the University of Bayreuth for a project on accelerating organic semiconductor discovery with generative AI, molecular dynamics, and density functional theory (DFT) . The research sits at the intersection of materials science , computational chemistry , scientific machine learning , and physics , with a focus on designing next-generation organic semiconductor materials with tailored optoelectronic properties. The program is pa...

Computational nano-electrochemistry at the University of Amsterdam This PhD project sits in the Computational Chemistry Group at the Van 't Hoff Institute for Molecular Sciences (HIMS), part of the Faculty of Science at the University of Amsterdam. The research focuses on how electrochemical processes unfold at the nanoscale, with an emphasis on modeling complex solid-liquid interfaces under operating conditions. You will work on fundamental questions at the intersection of theory, simulation, a...

This PhD project is based in the Department of Physics at Stockholm University, within the Division of Chemical Physics and the Molecular Dynamics Quantum Chemistry group. The work focuses on the theoretical description of X-ray induced electronic transitions in liquid solutions and solid materials, where environmental effects and dynamical core-excitation response make accurate modelling challenging. The doctoral researcher will help develop improved quantum-chemical and simulation methods for ...