Post-doctoral Candidate: Molecular Modelling

Job description

Job Description

To perform computational simulations and experiments that enable systematic modification of crystallisation parameters, control polymorphism, and modify the crystal habit of small organic molecules.

Molecular modelling tools along with compound structural databases will be used to predict in silico the physico-chemical, surface and bulk properties of drug candidates.

The ideal candidate will have a strong understanding of computational structural chemistry. Experience in crystallography and crystal engineering would be particularly advantageous, especially in the field of Crystal Structure Prediction or Molecular Modelling.

Major outputs from the candidate's work will be to assess and characterise drug candidates in the solid state, for example: crystal habit (modification); crystal surface; polymorphism; intermolecular interactions, conformation, packing; cocrystal former (counterion) selection. Software shall be used that enables the manipulation of any pair-wise combination of the following objects: molecules, clusters of molecules, crystal surfaces and crystals

The work will rely on the candidate providing a scientific and engineering science base for developing bespoke software tools and work flows, matching Novartis' needs, whereby the predictive tools are optimised for work streams encompassing process and formulation Research and Development.

Desired profile

Ph.D. in or in a related field, optionally with prior PostDoctoral experience

PhD, or equivalent experience, in the field of crystal structure prediction or molecular modelling is vital.
This role will be supported by software development resource so formal programming skills will not be necessary; however, familiarity with scripting languages such as python would be beneficial. A collaborative role such as this will require good presentation skills, both written and oral, as well as a proven ability to deliver a programme of work on time. Applicants will be expected to have knowledge of the CSD and associated software, plus a strong understanding of computational structural chemistry and molecular modelling software packages.
The position is anticipated to be for a two year period.

Language:
English



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