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selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel
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samples for the study. Further development will be granted by the dialog with advanced atomistic simulations (ab initio and tight-binding) carried out in the laboratory and the lively context offered by
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composition and atomistic modeling of materials. The main activities will include: - formulating new descriptors of critical temperature (Tc) incorporating electronic fluctuation effects, evaluated by
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deformation in situ. Nat. Mater. 23, 20–22 (2024) [2] Erbi, M. et al., Tuning elastic properties of metallic nanoparticles by shape controlling: From atomistic to continuous models, Small, 2302116 (2023) [3
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problems. Its members are active in the fields of docking, atomistic and coarse-grained simulations tackling problems such as protein/protein and protein/DNA interactions, dynamics and function
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recognized for developing and applying computational methodologies to solve biologically relevant problems. Its members are active in the fields of docking, atomistic and coarse-grained simulations tackling