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Field
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integrating findings with molecular dynamics simulations. Collaborating closely with computational researchers at the Flatiron Institute to develop new analytical approaches. Preparing samples and supporting
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Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi M, Jonic S, Rouiller I
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Description Molecular modeling (i.e., Monte Carlo and molecular dynamics methods) are becoming computationally-accessible for large-scale simulations of various thermophysical and mechanical properties
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modalities like spatial proteomics and/or single-cell RNAseq. Once trained, those models will allow us to (1) understand the principles of molecular communication to self-organize cells in tissue, and (2
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mechanics (Monte Carlo or molecular dynamics simulation, calculation of virial coefficients from intermolecular potentials, etc.) can be used to supply data where experiments are infeasible or unavailable
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during sintering (temperature and current fields, resulting stresses, etc.). These fields will then be used as input conditions for Molecular Dynamics simulations in order to observe in situ atomic‑scale
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and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics
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focus on the following points: Independent work on research questions using tools such as molecular dynamics or density functional theory, Study of application-related research questions related to, e.g
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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
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applicant will be a recognised expert in molecular dynamics simulation involving modelling of mineral lattices undergoing perturbations from an external source, and will possess sufficient specialist