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l'ENS, within a research environment specialized in soft matter, statistical physics, and fluid dynamics. The project will rely primarily on large-scale molecular dynamics simulations and theoretical
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Laboratoire Interdisciplinaire des Energies de Demain - Université Paris Cité | Paris 15, le de France | France | 14 days ago
, the influence of the local polymer environment (the “photomorphon”) on photoswitch performance will be investigated using non-adiabatic molecular dynamics3 and QM/MM simulations. By comparing isolated molecules
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utilise molecular backbones that have been little studied to date, based on weak interactions between electron-rich and electron-poor moieties in a chiral environment. The PhD student recruited will be
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of cryo-electron tomography (cryoET), molecular dynamics simulation, and machine learning. The project aims to develop AI methods for mesoscale structural biology, understanding how cellular macromolecules
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labs across HHMI. This role is part of the AI+CryoET project within AI@HHMI, a multi-institutional project at the intersection of cryo-electron tomography (cryoET), molecular dynamics simulation, and
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at the University of Rouen Normandie is seeking a motivated PhD candidate for the CRONOSS project, which aims to revolutionize crystallization control by combining in silico simulations with experimental validation
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to reduce the cost of clean hydrogen to $1/kg by 2031. The project proposes to address key scientific challenges by using molecular simulations (reactive force fields like ReaxFF and machine learning
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position (Reference REQUIMTE 2026-30) is available at REQUIMTE, at the project BeTASTy – “New Molecular and Cell-based Approaches to assess Food Astringency and Bitterness” Grant Agreement 101040462 ERC-2021
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to increase usage by the community. [1] https://doi.org/10.1039/C9SM01877H [2] https://doi.org/10.1063/1.5123683 [3] https://doi.org/10.6028/jres.123.004 key words Molecular simulation; Monte Carlo
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endanger the performance and lifetime of these reactors. We will develop a predictive multi-scale modeling framework to understand and mitigate this damage. At the atomic scale, molecular dynamics