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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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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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behaviour as the temperature drops, combining quantum mechanics, large-scale molecular dynamics, and deep learning. Work with world-leading researchers at Warwick and the Max Planck Institute for Sustainable
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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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behaviour, bridging the gap between molecular simulations and rheology. This interdisciplinary project will provide valuable insights into micellar dynamics, surfactant self-assembly, and nonlinear rheology
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to leverage molecular dynamics simulation develop methods to determine the partitioning with relevant surfactant systems. The project will further be extended to studying the interaction of different additives
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and Metabolic Medicine (LICAMM), a centre of excellence that integrates molecular, cellular, and clinical approaches to tackle major health challenges. University of Bern(Prof. Dominik Obrist
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and Metabolic Medicine (LICAMM), a centre of excellence that integrates molecular, cellular, and clinical approaches to tackle major health challenges. University of Bern (Prof. Dominik Obrist
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, and play an important part in accelerating the progression towards net zero in the UK and globally. In this PhD project, the student will lead on computational methods, including molecular dynamics (MD