Computational challenges about nanostructures and biosystems at surfaces

Di Felice, Rosa and Corni, S. and Molinari, E. (2009) Computational challenges about nanostructures and biosystems at surfaces. Il nuovo cimento C, 32 (2). pp. 57-60. ISSN 1826-9885

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The interaction between nano-objects and extended solid surfaces is of paramount importance in the context of nanoscience and nanotechnology. It plays a role both in investigating the properties of nanoscale materials and in exploiting such properties. We overview selected examples inspired by experimental facts. We focus on bio-nano cases such as the adsorpion of small polypeptides and nucleotides on metal surfaces, including the role of an aqueous environment. We highlight evidences that call for interpretation, computational approaches based on density functional theory and molecular dynamics that are currently available to face the open problems, and desired theoretical/computational developments that may increase the potentialities of theory to guide and interpret technology progress.

Item Type: Article
Uncontrolled Keywords: Chemisorption/physisorption: adsorbates on surfaces ; Supramolecular and biochemical assembly ; Molecular dynamics calculations (Car-Parrinello) and other numerical simulations
Subjects: 500 Scienze naturali e Matematica > 570 Scienze della vita; Biologia > 572 Biochimica (Classificare qui la Citochimica, l'Istochimica, le opere d'insieme su Biochimica e Biofisica; le opere interdisciplinari sulle sostanze biochimiche, sulle macromolecole)
Depositing User: Marina Spanti
Date Deposited: 25 Mar 2020 09:49
Last Modified: 25 Mar 2020 09:49

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