41 dft-phd Postdoctoral positions

Postdoctoral Position in Relativistic Quantum Chemistry at the Faculty of Natural Sciences, Comenius University in Bratislava

. The postdoctoral fellow will be affiliated with a young international research team led by Dr. Michal Repisky, developing its own relativistic DFT program, ReSpect (www.respectprogram.org ). The postdoctoral fellow

Postdoc position in Metal Hydride Development

the partners of the network, please contact Dr. Paul Jerabek Your profile A MSc degree and PhD degree in chemistry, physics, materials science or related fields with a strong focus on computational

Postdoc position in Metal Hydride Development

degree and PhD degree in chemistry, physics, materials science or related fields with a strong focus on computational investigations is required. Experiences in Integrated Computational Materials

Postdoctoral Appointee - MSD - Modeling of Neutral & Charged Polymeric Materials

, including their interfaces, and those arising in blends. The position will also involve modeling of liquid crystalline materials. The postdoctoral researcher will use a combination of DFT methods, classical

Postdoc in materials science (experimental study and DFT calculation) (M/F)

theory (DFT) will be used for this purpose. The numerical methods to be implemented in this project require the support of experimental data, which are also part of this postdoctoral position, either

Postdoctoral position in synthetic organic chemistry: stereoselective C–H activation

. stereoselective synthesis, transition metal catalysis) as exemplified in high quality publications Experience in the field of molecular modeling using DFT method is welcome Strong track record in high quality

Postdoctoral position in multi-scale modelling of electrochemical interfaces in high-rate energy storage systems

applies finite-field density functional theory (DFT)-based and machine learning (ML)-accelerated molecular dynamics (MD) simulations recently developed and applied in the TeC group at Uppsala (https://tec

Postdoctoral Research Associate on Carbon Catalysts for Hydrogen Production

high-impact scientific journals. Additional experiences in collaboration with researchers on DFT and molecular dynamic modelling will be ideal for this position. Your key responsibilities will be

Postdoc – Simulation-based development of cathode materials for Na-ion batteries

-based approaches (such as DFT and AIMD), thermodynamics and kinetics as well as finite element methods will be applied to perform a rapid and reliable screening of various compositions in the search

Post-Doc in Computational chemistry applied to heterogeneous catalysts

performances are still below the targeted ones. To overcome this, a more rational approach based on density functional theory (DFT) and structure-activity correlations must be built to explore new materials