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Basse Normandie. PHD title: Doctorat de Physique PHD Country: France Where to apply Website https://www.abg.asso.fr/fr/candidatOffres/show/id_offre/137565 Requirements Specific Requirements Applicant
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approach must be combined with mechanistic models that describe the specific microstructure elements. A variety of inputs from both experimental work and simulations (i.e., first principle, atomistic, and/or
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challenging. We seek to address this measurement problem by developing a coherent strategy for integrating inputs from several critical experimental techniques to perform fully atomistic structural refinements
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. The objective of this PhD project is to use high pressure to obtain new polymorphic forms of poorly soluble APIs, combining experimental investigations and atomistic simulations. Two experimental approaches will
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Offer Description Development of atomistic ab-initio simulations and machine learning models for the study of phonon transport, phase transitions, and structural optimization of phase change materials
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and oral Experience with atomistic electronic structure calculations Programming skills Advantages are: Prior knowledge of atomic and molecular physics Thorough and independent working style Knowledge
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theoretical methods and algorithms are required. The research project aims at deriving priors for Bayesian methods from atomistic simulations and machine learning. It also offers the opportunity to work with
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applications for a PhD Student (f/m/d) in the field of Theory and Methods for Non-equilibrium Theory and Atomistic Simulations of Complex Biomolecules Possible projects are variational free energy methods
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computational methodologies, ranging from atomistic and electronic-structure–based materials modeling and characterization, via machine-learning and high-throughput methods, to ab initio calculation