PhD Opportunities in Molecular Dynamics in Luxembourg

This PhD project is based at the Laboratory of Organic Electronics (LOE) at Linköping University and focuses on computational materials science for organic functional materials. The research aims to understand how ions and electronic charge carriers move together across multiple length and time scales, with direct relevance for emerging energy technologies such as organic batteries, mixed ionic-electronic conductors, and electrochemical components. The doctoral student will work on building a mu...

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 ...

The Brain Signaling and Neurolipids Lab at the Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) in Barcelona is recruiting a PhD student to work at the interface of molecular simulation, membrane biophysics and machine learning. The project investigates how the lipid composition of neuronal membranes influences the behaviour of G protein-coupled receptors (GPCRs), a major receptor family involved in neuronal communication and one of the most important drug-target families in the brain. ...

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...

The Technical University of Darmstadt is seeking a Research Associate / PhD Student in Computational Physical Chemistry within the Computational Physical Chemistry research group led by Prof. Nico van der Vegt. The group develops and applies theoretical and computational methods to understand the behavior of soft matter, with particular interest in polymers, biomolecules, and the role of water in determining their properties and interactions. The research environment is centered on molecular sim...

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...

The Hobday Group at the University of Edinburgh School of Chemistry is offering a PhD project on solid-state refrigerants, materials that can pump heat when squeezed and may provide alternatives to harmful refrigerant gases. The research will investigate why some materials show excellent solid-state refrigeration performance. The successful student will map the energetic pathways and molecular dynamics that control how these materials respond to pressure, building an understanding from the atomi...

This doctoral project at KTH Royal Institute of Technology is based in the Division of Theoretical Chemistry and Biology and focuses on developing methods and software for quantum-mechanical simulations of large molecular systems. The student will work on computational approaches aimed at making these simulations scalable to some of the world’s largest computers. The project is strongly software- and algorithm-oriented, with emphasis on high-performance parallel computing on GPUs and on building...

This doctoral project is based in the Division of Chemical Physics in the Department of Physics at Stockholm University, within the AlbaNova University Center. The position sits in a lively research environment with doctoral education across Physics, Theoretical Physics, Chemical Physics and Medical Radiation Physics, and the group spans a broad range of experimental and theoretical projects. The project focuses on the theoretical description of X-ray induced electronic transitions in liquid sol...