Sort by
Refine Your Search
-
Listed
-
Country
-
Employer
- CNRS
- ETH Zürich
- Hanyang University
- Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association
- ICN2
- IMT Mines Albi
- Institut Català de Nanociència i Nanotecnologia
- Lawrence Berkeley National Laboratory
- MOHAMMED VI POLYTECHNIC UNIVERSITY
- Technical University of Denmark
- The Cyprus Institute
- Universitat de Barcelona
- University of California
- University of Jyväskylä
- University of Luxembourg
- University of Nevada, Reno
- University of Oxford
- University of Southern Denmark
- Uppsala universitet
- VIN UNIVERSITY
- Wroclaw University of Science and Technology
- 11 more »
- « less
-
Field
-
approaches based on density functional theory (DFT) have been introduced in recent years. A new research theme, "organometallic structures (MOFs)," has been introduced more recently, proposing the use
-
Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | 2 days ago
functional theory (DFT), including the development and analysis of modern functionals # Solid background in electronic structure theory and quantum chemical methods # Extensive and specialized experience with
-
. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process. - Perform
-
density functional theory (DFT) and many-body perturbation theory (MBPT) based methods, in order to predict photophysical properties of novel semiconductors. The theoretical and computational predictions
-
computational condensed matter physics. We seek a motivated researcher with expertise in density functional theory (DFT) to study emergent phenomena in quantum materials. Research Areas - Correlated electronic
-
-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
-
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
-
papers and reports. We are looking for: Ph.D. in Chemistry/Physics/Materials Science, or similar fields. Density Functional Theory, Molecular Dynamics (ab-initio MD and/or nonadiabatic MD), Kinetic
-
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
-
to scientific research papers and reports. We are looking for: Ph.D. in Chemistry/Physics/Materials Science, or similar fields. Density Functional Theory, Molecular Dynamics (ab-initio MD and/or nonadiabatic MD