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The main objective of this research project is to advance the theoretical understanding of several systems and phenomena of great interest in the field of Atomic and Molecular Physics and related areas such as Nanotechnology and Biophysics. To this end, numerical simulation techniques from this field will be used, and new physical-mathematical models will be developed. On the one hand, we will address the theoretical study of atomic systems such as Bose-Einstein condensates and molecular systems such as aggregates of noble gases or water in carbon-based molecular complexes and beta-cyclodextrin inclusion complexes. On the other hand, we will generalize the simple model of capsomere interaction already developed for the study of the self-assembly process of viral capsids. A systematic study of the energetic, dynamic, and thermodynamic properties of all these systems and phenomena will also be carried out, always referencing information from experimental studies. The aim is for the new knowledge to have a potential impact on the scientific community and its possible application to processes in industry and biotechnology.
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The main goal of this research proposal is to enlarge the theoretical knowledge of some systems and phenomena of current interest that can be integrated in the field of Atomic and Molecular Physics and related topics such as Nanotechnology and Biophysics. In order to do so, numerical simulations from this area of Physics will be used and new physical and mathematical models will be developed. On one hand, the theoretical study of atomic systems such as Bose-Einstein condensates and molecular systems such as rare-gas or water clusters in interaction with molecular complexes based on carbon and beta-cyclodextrin inclusion complexes with amino acids will be carried out. On the other hand, a generalization of our simple theoretical model of interaction between capsomers in the study of the self-assembly of virus capsids will be developed. A systematic study of energetic, dynamic and thermodynamic properties of all these systems and phenomena will be performed by having the experimental information available always at hand. Our intention is that the knowledge acquired from this research has an important impact in the scientific community and in some processes of the Industry and the Biotechnology.
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