A QUSTEC MSCA PhD fellowship is available in our group at Institut de Physique et de Chimie des Matériaux de Strasbourg (IPCMS, http://www.ipcms.unistra.fr/?lang=en) for a project  on 'Nuclear quantum Effects and magneto-electric patterns of nanostructured hybrid materials: Insights and design via first-principles MOlecular dynamics' -NEMO- (more info: http://tiny.cc/uj9kaz)

QUSTEC trinational PhD programme is seeking outstanding graduates in the fields of solid-state physics and nanotechnology, computational physics, physical chemistry, etc. 

We specifically invite qualified women to apply for the position. More information on the programme, requirements and eligibility criteria, and the application and recruiting process are available on the website https://www.eucor-uni.org/en/qustec/ (topic 6.1)

Monday 19th August 2019, 17:00 Brussels time: Submission deadline.

Briefly about the NEMO project:

Atomistic and multi-scale computer modeling will be employed and tuned to study hybrid
materials made organic and inorganic sub-components. Within the NEMO project the scope is to provide a computer-aided tool for the design of tailored multifunctional materials with enhanced properties for multiple applications as for electronic devices and next-generation energy technologies. Novel functionalized layered simple hydroxides (LSHs) with exceptional ionic conductivity and tailored magneto-electric properties are the materials targeted in this project. According to preliminary works [Adv. Funct. Mater. 27 1703576 2017], LSHs materials can be successfully functionalized with novel organic functionalities that can lead to important experimental observations such as magneto-electricity and tailored ionic conductivity. However, the uppermost current limitation hindering full‐scale up of such hybrids is due to a lack of fundamental comprehension of the (nano)interlayer structure combined to its proton transport, as well as of the role of the constituting building blocks combined to their magneto-electric properties. The purpose of this project is to exploit the most advanced computational tools, in synergy with experimental work, to target the chemical interactions regulating structure and properties, with special emphasis on nuclear quantum effects and magneto-electric patterns.
Here we propose to train a high-profile PhD student in the area of hybrid organic-inorganic
materials by combining our expertise with different simulation methods and high-performance
computing (HPC) resources. The applicant will be trained to become familiar with advanced HPC
methods and to acquire the skills needed. Performing large-scale modelling of realistic systems
bridging size and time scales beyond conventional methods. To this aim, density-functional-theory
based quantum and hybrid quantum mechanics / molecular mechanics methods will be used to
achieve predictive power for quantities related to the experimental counterparts.

The candidate is required to hold a Diploma/Master in physics, chemistry or condensed matter
theory with an excellent academic track record and at least a minimal background knowledge of
density functional theory and/or classical molecular dynamics techniques and/or fundamental
quantum mechanics and statistical mechanics.