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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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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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detection by mass spectrometry, by combining molecular dynamics simulations and experiments (Figure 1).1-5 The present PhD thesis will investigate the effects of additional specific ions in fluid samples
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systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element
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Inria, the French national research institute for the digital sciences | Villers les Nancy, Lorraine | France | 5 days ago
macromolecular dynamics, as well as collaborations with the European MDDB initiative. The candidate will develop new graph transformer architectures to learn conformational heterogeneity from molecular dynamics
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of oxygen into water, with the use of molecular dynamics simulations in a QM/MM framework. This PhD project is part of the ANR project UTAH, in close collaboration with a research team at Strasbourg
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10.04.2026, Academic staff The Niederholtmeyer Lab for Synthetic Biology at TUM Campus Straubing for Biotechnology and Sustainability invites applications for a PhD position in cell-free synthetic
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HBIGS Heidelberg Biosciences International Graduate School | Mannheim, Baden W rttemberg | Germany | 2 days ago
function, cellular and molecular mechanisms that drive these functional changes remain understudied. This project aims to track circadian changes in molecular circuits, particularly mRNA dynamics, in young
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at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
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this goal, doped-diamond systems will be considered. The thermal stability of selected compounds under operating conditions will be assessed by means of molecular dynamics simulations with Machine Learning