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PhD Position on First-Principles Mechanochemistr ... (No replies)
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Project Description: A PhD Position position is available in the group of Dr. Anthony Reilly at Dublin City University (Ireland), studying the mechanochemistry of active pharmaceutical ingredients (APIs). The application of mechanical stress to crystal forms of an API e.g. through grinding, can be an important route to new single- or multi-component crystal forms. Predicting and controlling such transformations is difficult due to our limited understanding of the mechanochemistry of APIs, especially at an atomistic level, but is especially important, as API crystal forms can also be subjected to mechanical stress, particularly shearing, during manufacture.
First-principles and first-principles based methods will be used to modelled the elastic and plastic behaviour of API solid forms, while crystal-structure prediction calculations will be used to explore how different putative polymorphs to respond to mechanical stress, potentially opening up routes to novel solid forms. The PhD student will be a member of the Synthesis and Solid-State Pharmaceuticla Centre (http://www.sspc.ie) and will have the opportunity to spend time in collaborating research groups in the UK.
Funding and Application Details: The PhD studentship will cover fees up to €5,500k pa and a stipend of €18,500k pa. Candidates should hold, or expect to hold, a minimum of an honours bachelor’s degree at 2:1 level (or equivalent) in chemistry, materials science, or a related subject. Interested candidates should apply by email to Dr. Anthony Reilly, [email protected], including a cover letter (1 page) explaining their interest in the project topic and mentioning any relevant background and/or experience and a Curriculum Vitae.
Closing Date: Friday, July 27, 2018