Sort by
Refine Your Search
-
Listed
-
Country
-
Employer
- MOHAMMED VI POLYTECHNIC UNIVERSITY
- VIN UNIVERSITY
- Argonne
- CNRS
- ICN2
- City University of Hong Kong
- Czech Technical University in Prague
- ETH Zürich
- Hanyang University
- Heriot Watt University
- IMT Mines Albi
- IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava
- Illinois Institute of Technology
- Institut Català de Nanociència i Nanotecnologia
- Lawrence Berkeley National Laboratory
- Max Planck Institute for Extraterrestrial Physics, Garching
- Nature Careers
- Oak Ridge National Laboratory
- Technical University of Denmark
- The Cyprus Institute
- University of California
- University of California, Merced
- University of Jyväskylä
- University of Luxembourg
- University of North Carolina at Chapel Hill
- University of Oxford
- University of Southern Denmark
- Université de Bordeaux / University of Bordeaux
- Uppsala universitet
- Villanova University
- West University of Timisoara
- Wroclaw University of Science and Technology
- 22 more »
- « less
-
Field
-
of configurations generated in silico as well as their thermodynamic, dynamic (phonon), and mechanical properties, and performing DFT/MLIP NpT and NVT molecular dynamics simulations. - Analyzing and exploiting
-
physical techniques. Responsibilities and tasks: • In-depth and extensive bibliographic study; • Optimization of the crystal growth process through numerical models; • DFT and DFT+eDMFT studies
-
functional theory (DFT) is used to simulate the adsorption properties of the identified MOFs. To date, some studies have already demonstrated this feasibility for the adsorption of toxic molecules, but
-
IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 11 days ago
No. 24-11388I - Magneto-elasticity of non-cubic materials in spin-lattice dynamic simulations. Activity description: · conduct scientific investigations in two primary research directions: - development
-
of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional theory (DFT) is a significant asset to support ongoing
-
simulations in order to interpret the fundamental origin of observations. The activity of this position is mainly dedicated to optical activity studies in the Molecular Spectroscopy Group (GSM) with N. Daugey
-
metal dichaocogenides (TMDs) model the phononic bands of the host material with e.g. density functional theory (DFT) calculate the effect of a strain field on the electronic bands and the phonon modes
-
combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
-
for 2 years You will lead and manage your own research within the project, developing and applying advanced electronic structure and molecular simulation methods. The work will involve transition-metal
-
-Performance Computing Advanced Know-How in the fields of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional