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