Sort by
Refine Your Search
-
Country
-
Employer
- CNRS
- Argonne
- ICN2
- Empa
- Austrian Academy of Sciences, The Human Resource Department
- Eindhoven University of Technology (TU/e)
- Eindhoven University of Technology (TU/e); Eindhoven
- FAPESP - São Paulo Research Foundation
- King's College London
- Oak Ridge National Laboratory
- University of Kansas
- University of Oxford
- University of Oxford;
- University of South Carolina
- University of Turku
- 5 more »
- « less
-
Field
-
validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
-
-principles and atomistic simulations with machine-learned interatomic potentials to: Model reaction pathways on metal-oxide surface, including adsorption, reactions and diffusion steps. Construct atomistic
-
samples for the study. Further development will be granted by the dialog with advanced atomistic simulations (ab initio and tight-binding) carried out in the laboratory and the lively context offered by
-
broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
-
-scale materials simulations Experience developing and applying machine-learning surrogates for atomistic simulations Excellent verbal and written communication skills Strong collaborative skills and the
-
deformation behaviors. This will be supported by numerical simulations developed by the LEM where nanoindentation simulations at the atomic scale will be performed by Molecular Dynamic (MD) as well as finite
-
applications, (2) design and architecture of integrated, hybrid, atomistic simulation software packages (e.g., LAMMPS) and DL models, and (3) documentation, verification and validation, and software quality
-
composition and atomistic modeling of materials. The main activities will include: - formulating new descriptors of critical temperature (Tc) incorporating electronic fluctuation effects, evaluated by
-
of work already performed by this team. It represents a unique and exciting opportunity to undertake simulations that feed into and from extensive biochemical data in real time. It requires
-
thin films possessing the desired magnitude and direction of the polarization. The successful candidate will perform atomistic simulations, using both density functional theory and classical molecular