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on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and desorption mechanisms of various
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mouse models of cancer. The project will use molecular biology, protein biochemistry, and enzyme assays to further characterise this agent and understand its mechanism of action. You will manage your own
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About the project: Fast and Flexible Nested Sampling via Collective Move Dynamics for Molecular Systems Supervisor: Dr Livia Bartók-Pártay, University of Warwick Organic matter encompasses a range
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focus of their work is the role of protein dynamics and quantum mechanics during enzyme catalysis. Much of the work involves computational chemistry, often combing molecular dynamics (MD) simulations with
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learning models to predict how materials break at the atomic scale. You'll create AI-driven simulations that reveal why tungsten, the leading fusion reactor material, transitions from ductile to brittle
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, machine learning, molecular dynamics, and fluid mechanics. We aim to understand how chemical structure of precursors and process conditions affect film quality, helping design better materials and
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developing next-generation technologies. In this PhD project, you will employ atomistic spin-lattice dynamics simulations, a framework that combines atomistic spin dynamics with molecular dynamics
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microbiology. It addresses the urgent need for energy-efficient grain storage solutions in the context of climate change and Net Zero commitments. By integrating thermal dynamics, moisture migration modelling
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, biophysical assays, and murine models of pulmonary embolism. A second goal will consist of integrating experimental findings with in-silico models and microfluidic flow systems to explore the interplay between