Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Employer
- Consiglio Nazionale delle Ricerche
- DAAD
- European Magnetism Association EMA
- ICN2
- Institut Català de Nanociència i Nanotecnologia
- J. Heyrovský Institute of Physical Chemistry of the CAS, v. v. i.
- Leibniz
- Maynooth University
- NTNU - Norwegian University of Science and Technology
- NTNU Norwegian University of Science and Technology
- Technical University of Denmark
- The University of Manchester
- University of Groningen
- University of Southern Denmark
- Uppsala universitet
- 5 more »
- « less
-
Field
-
Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic descriptors
-
magnets, unconventional magnetic systems, and topological materials. The candidate will develop and apply advanced computational techniques, including (TD)DFT and post-DFT analyses, alongside spin dynamics
-
) computational simulations to understand both the electronic states of enzyme intermediates and the transitions between them. As a joint studentship, around half of the project will be based in Manchester and half
-
electrocatalysts. Main Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic
-
by metal nanoparticles, cell survival and radioresistance. The MS-RADAM research programme combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory
-
nanoparticles, cell survival and radioresistance. The MS-RADAM research programme combines state-of-the-artc omputational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics
-
of radionuclides on clay mineral surfaces using DFT Kinetic Monte Carlo simulations with activation energy barriers as input to simulate large-scale interactions of nuclides with surfaces Preparation and
-
complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations
-
to materials science, and formulate research hypotheses that can be benchmarked through physical experiments or computational simulations. The project is funded by the Research Council of Norway and is a
-
– Molecular-Scale Modelling This PhD position focuses on molecular-scale computational modelling of polymer-hybrid anion-exchange membranes. The project involves DFT, molecular dynamics, and Monte Carlo