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Chemistry position is available for Chemical Research to work in a project on the development of new ab initio electronic structure methods led by Dr. Ramon Alain Miranda Quintana in the Department
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design (TCAD) tools should operate at the ab-initio and quantum mechanical level. Moreover, they should capture the interplay between electrical (voltage-induced currents), thermal (excitation of crystal
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(based for instance on classical and/or ab initio molecular dynamics, combined with ONIOM-type QM/MM approaches) to gain deeper insight into the structure of the HFIP solvent, its coordination properties
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, The University of Manchester. Applications are invited for a post-doctoral research associate position to work on the development and application of ab initio computational methods for simulating actinide X-ray
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Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department of Physics, City
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The project is part of the ANR BIRD – Photoinduced Doping in Hexagonal Boron Nitride for Deep UVC Applications. The postdoctoral researcher will work on ab initio modeling to understand, at the atomic scale
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programming skills in C++, LaTeX, good knowledge of Unix systems, and experience using materials data repositories such as AFLOW. · Proven experience in VASP, Quantum Espresso, FHI-AIMS, or other ab-initio
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are invited for a post-doctoral research associate position to work on the development and application of ab initio computational methods for simulating actinide X-ray spectroscopies. Ideal candidates should
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represents an area that has not yet been sufficiently explored. To this aim, the present project will employ ab initio calculations to understand the atom-scale phenomena determining the electrode surface
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of single dye molecules or their aggregates using ab-initio methods. This will involve describing the molecule’s vibronic structure and engineering its emission properties, e.g., by controlling the molecule’s