Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Field
-
) at multiple microwave frequencies. This work will be complemented by the systematic quantitative analysis of experimental data through spectral simulation, in combination with the use of various substrates
-
periodic DFT/TD-DFT, complemented by lattice dynamics and light data-driven screening, will predict polarizabilities, non-linear susceptibilities, phonon dispersions, Curie behavior, and Raman/IR signatures
-
Scikit-learn, PyTorch, Openbabel, and RDKit packages. Experience with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing
-
a Research Infrastructure? No Offer Description Chiral Nanocluster Materials (CHIRALNANOMAT), https://cordis.europa.eu/project/id/101227458 involving 13 PhD students across 7 European countries for 3
-
theoretical modelling of our experimental results to support this work. This includes DFT modelling of absorber-molecule interfaces and calculations of absorption and Auger spectra. This work will be carried
-
to either first-principles calculations or AI supported database management of high-throughput type calculations/simulations. Basic knowledge of density functional theory (DFT) is beneficial. Strong
-
into cellulose-solvent interactions and fiber formation. The candidate will develop models at different levels, including molecular dynamics, DFT, and mesoscale simulations. This multiscale approach will assist in
-
experience using 2D or 3D x-ray fluorescence microscopy. Proven expertise in DFT and/or XANES simulation Hands-on experience with in-situ and operando measurement Demonstrated success in the design
-
molecular systems. Method development, potentially in the realm of time-dependent current DFT, will likely also be required as we learn about physical phenomena underlying the CISS effect. Bhat group
-
areas of nanoscience and nanotechnology. Job Title: Postdoctoral Researcher (HANAMI) Research area or group: Theory and Simulation Group Description of Group/Project: The Theory and Simulation Group has