Application of a quantum genetic algorithm and QTAIM analysis in the study of structural and electronic properties of neutral bimetallic clusters NaxLiy (4 ≤ x + y ≤ 10)
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04576-1
Abstract: Alloy clusters of NaxLiy (4 ≤ x + y ≤ 10) are studied by exploring the potential energy surface in the ab initio MP2 level with the support of a quantum genetic algorithm (QGA). In some cases, the structures have been… read more here.
Keywords: clusters naxliy; quantum genetic; analysis; genetic algorithm ... See more keywords
Application of quantum mechanical simulations for studying the radiolytic stability of prospective extractants in the nuclear fuel cycle
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Radioanalytical and Nuclear Chemistry"
DOI: 10.1007/s10967-018-6225-2
Abstract: Diglycolamides (DGA) play a crucial role in the advanced spent nuclear fuel reprocessing. This work extends the portfolio of theoretically calculated properties of such organic extractants related to the radiolytic stability in the partitioning processes.… read more here.
Keywords: radiolytic stability; nuclear fuel; application quantum; stability ... See more keywords
Application of quantum artificial bee colony for energy management by considering the heat and cooling storages
Sign Up to like & getrecommendations! Published in 2019 at "Applied Thermal Engineering"
DOI: 10.1016/j.applthermaleng.2019.113742
Abstract: Abstract In this study, we proposed a method to program an EH (i.e. energy hub) that procures the electrical power, thermal power and cooling loads. This proposed method also is a management model for continuous… read more here.
Keywords: quantum artificial; management; application quantum; power ... See more keywords
Application of Quantum Dot Interface Modification Layer in Perovskite Solar Cells: Progress and Perspectives
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12122102
Abstract: Perovskite solar cells (PSCs) are currently attracting a great deal of attention for their excellent photovoltaic properties, with a maximum photoelectric conversion efficiency (PCE) of 25.5%, comparable to that of silicon-based solar cells. However, PSCs… read more here.
Keywords: layer; solar cells; quantum dot; application quantum ... See more keywords