The continued reduction of semiconductor device feature sizes towards the single-digit nanometer regime involves a variety of quantum effects. Modeling quantum effects in phase space in terms of the Wigner transport equation has evolved to be a very effective approach to describe such scaled down complex systems, accounting from full quantum processes to dissipation dominated transport regimes including transients. Here, we discuss the challanges, myths, and opportunities that arise in the study of these complex systems, and particularly the advantages of using phase space notions. The development of particle-based techniques for solving the transport equation and obtaining the Wigner function has led to efficient simulation approaches that couple well to the corresponding classical dynamics. One particular advantage is the ability to clearly illuminate the entanglement that can arise in the quantum system, thus allowing the direct observation of many quantum phenomena.
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http://dx.doi.org/10.3390/e22101103 | DOI Listing |
J Org Chem
March 2025
Department of Applied Chemistry and Biotechnology, Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507, Japan.
The detailed mechanism of photoinduced decarboxylative radical addition to alkenes using both the effect of an electron donor (ED)/electron acceptor (EA) and laser flash photolysis in a two-molecule photoredox system was investigated. The concentration of EA played an important role in the photoreaction and could be controlled by varying the concentrations of ED/EA and their identity, which influenced Δ. Higher concentrations of ED/EA and a larger negative Δ led to a higher concentration of EA, thereby increasing the yield of the adduct; however, the large negative Δ for the generation of the EDA complex hindered decarboxylation.
View Article and Find Full Text PDFJ Chem Theory Comput
March 2025
Department of Chemistry, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois 60637, United States.
Single-molecule magnets (SMMs) are promising candidates for molecular-scale data storage and processing due to their strong magnetic anisotropy and long spin relaxation times. However, as the temperature rises, interactions between electronic states and lattice vibrations accelerate spin relaxation, significantly limiting their practical applications. Recently, ab initio simulations have made it possible to advance our understanding of phonon-induced magnetic relaxation, but significant deviations from the experiments have often been observed.
View Article and Find Full Text PDFACS Nano
March 2025
School of Chemical Science and Engineering, Tongji University, 1239 Siping Road, Shanghai 200092, China.
The self-assemblies of topological complex block copolymers, especially the AB type miktoarm star ones, are fascinating topics in the soft matter field, which represent typical self-assembly behaviors analogous to those of biological membranes. However, their diverse topological asymmetries and versatile spontaneous curvatures result in rather complex phase separations that deviate significantly from the common mechanisms. Thus, numerous trial-and-error experiments with tremendous parameter space and intricate relationships are needed to study their assemblies.
View Article and Find Full Text PDFHandb Clin Neurol
March 2025
Institute of Neurology, Università Cattolica del Sacro Cuore, Fondazione Policlinico A. Gemelli, IRCCS, Rome, Italy. Electronic address:
Since several reviews have recently discussed the lateralization of emotions, this chapter will take into account the possible evolutionary meaning of this lateralization. The organization of the chapter will be based on the following steps. I will first propose that emotions must be considered as a complex adaptive system, complementary to the more phylogenetically advanced cognitive system.
View Article and Find Full Text PDFTraffic
January 2025
Center for Complex Biological Systems, University of California, Irvine, Irvine, California, USA.
The delivery of intracellular cargoes by kinesins is modulated at scales ranging from the geometry of the microtubule networks down to interactions with individual tubulins and their code. The complexity of the tubulin code and the difficulty in directly observing motor-tubulin interactions have hindered progress in pinpointing the precise mechanisms by which kinesin's function is modulated. As one such example, past experiments show that cleaving tubulin C-terminal tails (CTTs) lowers kinesin-1's processivity and velocity on microtubules, but how these CTTs intertwine with kinesin's processive cycle remains unclear.
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