Sort by
Refine Your Search
-
Listed
-
Country
-
Employer
- MOHAMMED VI POLYTECHNIC UNIVERSITY
- Nature Careers
- Princeton University
- ; University of Cambridge
- Argonne
- Free University of Berlin
- ICN2
- Illinois Institute of Technology
- Iowa State University
- Max Planck Institute for the Structure and Dynamics of Matter, Hamburg
- Slovak Academy of Sciences
- University of Cambridge
- University of Central Florida
- University of Cincinnati
- University of North Carolina at Chapel Hill
- University of North Texas at Dallas
- University of Nottingham
- University of Oxford
- 8 more »
- « less
-
Field
-
Max Planck Institute for the Structure and Dynamics of Matter, Hamburg | Hamburg, Hamburg | Germany | 23 days ago
systems, solid state physics, classical and/or quantum electrodynamics, quantum chemistry (e.g. DFT or wave-function based approaches), molecular dynamics, rate theory Desired skills and qualifications
-
. Strong knowledge of heterogeneous catalysis and computational chemistry. Experience with computational modeling (i,e, DFT, and/or molecular dynamics). Familiarity with software such as Material Studio
-
-scale research facilities, such as synchrotrons, for EXAFS and high-pressure XPS measurements. We also work in close partnership with the CatTheory group, using DFT-calculations and microkinetic modelling
-
. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic and magnetic structure theory and calculations is also expected. The successful candidate will have a strong
-
, or related disciplines. Knowledge and Professional Experience: DFT-based methods. First-principles electronic structure calculations and user-level high performance computing. Programming skills
-
deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms
-
collaboration with colleagues working with DFT tools. Numerical 3D simulations of complex nano-devices using commercial or in-house software. The goal is to obtain realistic profiles of strain and electrostatic
-
-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high
-
analysis with X-ray and entron diffraction. Property characterisation using a physical property measurement system (PPMS) and a SQUID magnetometer (MPMS). Ab-initio DFT calculations for property predication
-
proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation of material properties, electronic structure, and atomic-scale behavior