Titlebook: Dynamics of Systems on the Nanoscale; Ilia A. Solov‘yov,Alexey V. Verkhovtsev,Andrey V. Book 2022 The Editor(s) (if applicable) and The A

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,Structure and Dynamics of Bio- and Macromolecules,nt conditions as well as at various external stresses. This chapter presents several illustrative examples of such computational research related to protein folding, unbinding of protein-ligand complex, and DNA unzipping.

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Multiscale Modeling of Surface Deposition Processes,es on multiple temporal and spatial scales. The chapter presents the basic theoretical concepts underlying stochastic dynamics implementation and provides several computational case studies accompanied with characteristic experimental results to validate the computational approaches.

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Book 2022 known as Meso-Bio-Nano (MBN) science that lies at the intersection of physics, chemistry, biology and material science. Special attention in the book is devoted to investigations of the structure, properties and dynamics of complex MBN systems by means of photonic, electronic, heavy particle and at

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,Multiscale Modeling of Irradiation-Driven Chemistry Processes,d in the . software package. This chapter provides several exemplary case studies illustrating the utilization of IDMD. Particular examples include irradiation-induced chemical transformations (including fragmentation) of organic and biomolecular systems and controlled fabrication of nanostructures

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Book 2022ng phenomena and many more. Emphasis in the book is placed on the theoretical and computational physics research advances in these areas and related state-of-the-art experiments. Particular attention in the book is devoted to the utilization of advanced computational techniques and high-performance computing in studies of the dynamics of systems..

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James M. Malloy,Carlos A. Parodithe context of evaluation of widths of the corresponding resonant processes. Finally, the fundamental physical phenomena associated with the confinement of atoms and small molecules inside carbon fullerenes representing a nanometer-sized cavity are discussed.

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https://doi.org/10.1007/978-1-349-11961-5d in the . software package. This chapter provides several exemplary case studies illustrating the utilization of IDMD. Particular examples include irradiation-induced chemical transformations (including fragmentation) of organic and biomolecular systems and controlled fabrication of nanostructures