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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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SD- 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MA...
Temporary contract | 14 + 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable
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will focus on the atomistic simulation of mineral oxide/liquid water interfaces that are of relevance to solar fuel production, decontamination of soil and geochemical transformations. The simulations
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using a multiscale numerical approach, from atomistic to large-scale thermomechanical modeling, coupled with micromechanical experiments (see figure below). The master internship and PhD thesis will
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extraction from atomistic systems, aiming to model the environment’s influence as colored noise. The study will involve developing and testing computational methods to characterize and incorporate memory
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effects on the particle and sub-particle level into hierarchical pseudo-2D descriptions of batteries Link continuum descriptions to quantum computing accelerated atomistic approaches in an interdisciplinary
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to grant writings. Further information on the Quantum Device Modelling group can be found: http://www.warwick.ac.uk/nanolab . Flexible Working We will consider applications for employment on a part-time or
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+ 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable PhD candidate to develop and
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atomistic simulations to overcome the limitations of traditional molecular dynamics approaches, which struggle to capture the experimentally relevant size (20–100 nm) and molecular complexity of LNPs. ML
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of dissertation topics: Development of Machine Learning Frameworks for Reactive Atomistic Materials Modeling (DSP II) Profile of the graduate This Ph.D. program is an interdisciplinary study combining physical