We are seeking a scientist having experience in using Molecular Modelling or Molecular Dynamics software packages and their application in understanding crystallisation processes of small organic molecules, preferably in the context of modelling crystal growth or morphology.
As a PostDoctoral Research Fellow, you would be part of a state-of-the-art Solid State Chemistry group that incorporates various in silico methods (MM/QM/MD) into early phase pharmaceutical development. The group has a focus on the in silico prediction of intrinsic physicochemical, and extrinsic surface and bulk properties of various solid forms of pharmaceutically active molecules to aid solid form selection and particle engineering efforts throughout the drug development cycle. Specific activities for the successful candidate could include quantification of targeted intermolecular interactions formed between impurities and the active substance crystal surface(s), to account for the impact on the resultant crystal habit. The ideal candidate would work with internal experts and external collaborators to link the computational simulations through experience in crystallography and crystal engineering principles in order to generate tangible solid forms. The position is anticipated to be for a two year period.
Recently completed Ph.D. in a computational science, crystal engineering, materials sciences or a related field, ideally with an emphasis on applying modelling software to molecular crystal surfaces
- Good knowledge of molecular modelling packages and materials science software and/or molecular dynamics software - Good knowledge and experience with programming and scripting languages, especially in the context of pipelining and analysing data - Experience with generating or using experimental data to support computational models would be advantageous - Strong inter-personal communication and presentation skills, both written and oral (English) - Good organisational and time management skills with inherent self-motivation
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