MSCA PhD fellow in Developing Efficient Methods for an Accurate Energy Ranking of Molecular Crystals [Luxembourg]


 

The University | About us...


This position is part of the Marie Skłodowska-Curie Actions Doctoral Network (MSCA DN) PHYMOL (http://phymol.eu/).

Physics, Accuracy and Machine Learning: Towards the next generation of Molecular Potentials.

11 PhD positions are available in the Marie Sklodowska-Curie Doctoral Network

PHYMOL brings together leading experts in the fields of molecular simulations, quantum chemistry, crystal structure prediction, intermolecular modelling, spectroscopy, machine-learning, and nano-clusters, from 12 academic institutes & laboratories, and 4 industrial entities, in an ambitious programme of research and training to develop a new generation of researchers in the field of molecular modelling.


Your Role...


Available projects

  • DC1: Towards the accurate description of the induction energy in SAPT
  • DC2: Intermolecular interactions in excited states: the CO–CO* and other excimers
  • DC3: Collision-induced absorption and high-resolution spectra calculated from ab initio potentials
  • DC4: Reparametrisation of semiempirical models
  • DC5: Development of intermolecular force-fields with many-body dispersion interactions
  • DC6: Consistent treatment of polarization and charge-delocalization in many-body systems
  • DC7: How intermolecular interactions shape polymorphic energy landscapes
  • DC8: State-of-the art modelling of new quantum materials: surface-supported metal atomic quantum clusters
  • DC9: Implicit machine-learning solvent models for confined spaces.
  • DC10: Adapting state-of-the-art modelling of new quantum materials to industry-standard open-source big data analysis tools.
  • DC11: Density-mapped FFs: Rapid prototyping of force-fields based on physical and ML mappings onto the electronic density

For project details and also details of the recruitment process go to the PHYMOL webpage (https://phymol.eu/). Projects are either 36 or 48 months in duration.


What we expect from you…


Requirements & Eligibility

  • International applicants with a strong interest in the scientific goals of PHYMOL.
  • Applicants should hold a MSc or equivalent degree in the field of physics, chemistry, or chemical engineering.
  • Experience & keen interest in programming (Python/C++/Fortran) is essential.
  • MSCA Mobility Rule: Researchers must not have resided or carried out their main activity (work, studies, etc.) in the country of the host organisation for more than 12 months in the 3 years immediately before the recruitment date. Exceptions apply. This rule may mean that you cannot apply for some projects.
  • Further eligibility requirements and the selection process are described on our recruitment page.

How to apply?

  • The application process is described on our Recruitment page (https://phymol.eu/recruitment.php)
  • We are accepting pre-applications immediately.
  • Initial application deadline: 06.2023
  • Candidates will be enrolled between 03.2023 to 01.09.2023

Job Reference: UOL05342


 

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