Variational Monte Carlo for Interacting Electrons in Quantum Dots

We use a variational Monte Carlo algorithm to solve the electronic structure of two-dimensional semiconductor quantum dots in external magnetic field. We present accurate many-body wave functions for the system in various magnetic field regimes. We show the importance of symmetry, and demonstrate how it can be used to simplify the variational wave functions. We present in detail the algorithm for efficient wave function optimization. We also present a Monte Carlo -based diagonalization technique to solve the quantum dot problem in the strong magnetic field limit where the system is of a multiconfiguration nature.Comment: 34 pages, proceedings of the 1st International Meeting on Advances in Computational Many-Body Physics, to appear in Journal of Low Temperature Physics (vol. 140, nos. 3/4

Half-Integer Filling Factor States in Quantum Dots

Emergence of half-integer filling factor states, such as nu=5/2 and 7/2, is found in quantum dots by using numerical many-electron methods. These states have interesting similarities and differences with their counterstates found in the two-dimensional electron gas. The nu=1/2 states in quantum dots are shown to have high overlaps with the composite fermion states. The lower overlap of the Pfaffian state indicates that electrons might not be paired in quantum dot geometry. The predicted nu=5/2 state has high spin polarization which may have impact on the spin transport through quantum dot devices.Comment: 4 pages, accepted to Phys. Rev. Let

Vortices in quantum droplets: Analogies between boson and fermion systems

The main theme of this review is the many-body physics of vortices in quantum droplets of bosons or fermions, in the limit of small particle numbers. Systems of interest include cold atoms in traps as well as electrons confined in quantum dots. When set to rotate, these in principle very different quantum systems show remarkable analogies. The topics reviewed include the structure of the finite rotating many-body state, universality of vortex formation and localization of vortices in both bosonic and fermionic systems, and the emergence of particle-vortex composites in the quantum Hall regime. An overview of the computational many-body techniques sets focus on the configuration interaction and density-functional methods. Studies of quantum droplets with one or several particle components, where vortices as well as coreless vortices may occur, are reviewed, and theoretical as well as experimental challenges are discussed.Comment: Review article, 53 pages, 53 figure

Influence of the Catalyst Particle Size on the Aqueous Phase Reforming of n-Butanol Over Rh/ZrO2

Butanol is a by-product obtained from biomass that can be valorized through aqueous phase reforming. Rh/ZrO2 catalysts were prepared and characterized, varying the size of the support particles. The results showed a relatively mild effect of internal mass transport on butanol conversion. However, the influence of internal transport limitations on the product distribution was much stronger, promoting consecutive reactions, i.e., dehydrogenation, hydrogenolysis, and reforming of propane and ethane. Hydrogen consuming reactions, i.e., hydrogenolysis, were more strongly enhanced than hydrogen producing reactions due to internal concentration gradients. Large support particles deactivated faster, attributed to high concentrations of butyraldehyde inside the catalyst particles, enhancing deposit formation via aldol condensation reactions. Consequently, also the local butyric acid concentration was high, decreasing the local pH, enhancing Rh leaching. The influence of internal transfer limitation on product distribution and stability is discussed based on a reaction scheme with three main stages, i.e., (1) formation of liquid intermediates via dehydrogenation, (2) formation of gas via decarbonylation/decarboxylation reactions, and (3) hydrocarbon hydrogenolysis/reforming/dehydrogenation

Ground-state of two-dimensional finite electron systems in the Quantum Hall regime

We study electronic structures of quasi-two-dimensional finite electron systems in high magnetic fields. The solutions in the fractional quantum Hall regime are interpreted as quantum liquids of electrons and off-electron vortices. The ground states are classified according to the number of vortices inside the electron droplet. The theory predicts observable effects due to vortex formation in the chemical potentials and magnetization of electron droplets. We compare the transitions in the theory to those found in electron transport experiments on a quantum dot device and find significant correspondence.Comment: 4 pages, 4 figures (3 in colour), revised in response to referees' comments, to appear in Phys. Rev. let

Glutathione s-transferase omega in the lung and sputum supernatants of COPD patients

BACKGROUND: The major contribution to oxidant related lung damage in COPD is from the oxidant/antioxidant imbalance and possibly impaired antioxidant defence. Glutathione (GSH) is one of the most important antioxidants in human lung and lung secretions, but the mechanisms participating in its homeostasis are partly unclear. Glutathione-S-transferase omega (GSTO) is a recently characterized cysteine containing enzyme with the capability to bind and release GSH in vitro. GSTO has not been investigated in human lung or lung diseases. METHODS: GSTO1-1 was investigated by immunohistochemistry and Western blot analysis in 72 lung tissue specimens and 40 sputum specimens from non-smokers, smokers and COPD, in bronchoalveolar lavage fluid and in plasma from healthy non-smokers and smokers. It was also examined in human monocytes and bronchial epithelial cells and their culture mediums in vitro. RESULTS: GSTO1-1 was mainly expressed in alveolar macrophages, but it was also found in airway and alveolar epithelium and in extracellular fluids including sputum supernatants, bronchoalveolar lavage fluid, plasma and cell culture mediums. The levels of GSTO1-1 were significantly lower in the sputum supernatants (p = 0.023) and lung homogenates (p = 0.003) of COPD patients than in nonsmokers. CONCLUSION: GSTO1-1 is abundant in the alveolar macrophages, but it is also present in extracellular fluids and in airway secretions, the levels being decreased in COPD. The clinical significance of GSTO1-1 and its role in regulating GSH homeostasis in airway secretions, however, needs further investigations

Vortex Clusters in Quantum Dots

We study electronic structures of two-dimensional quantum dots in strong magnetic fields using mean-field density-functional theory and exact diagonalization. Our numerically accurate mean-field solutions show a reconstruction of the uniform-density electron droplet when the magnetic field flux quanta enter one by one the dot in stronger fields. These quanta correspond to repelling vortices forming polygonal clusters inside the dot. We find similar structures in the exact treatment of the problem by constructing a conditional operator for the analysis. We discuss important differences and limitations of the methods used.Peer reviewe

Rectangular quantum dots in high magnetic fields

We use density-functional methods to study the effects of an external magnetic field on two-dimensional quantum dots with a rectangular hard-wall confining potential. The increasing magnetic field leads to spin polarization and formation of a highly inhomogeneous maximum-density droplet at the predicted magnetic field strength. At higher fields, we find an oscillating behavior in the electron density and in the magnetization of the dot. We identify a rich variety of phenomena behind the periodicity and analyze the complicated many-electron dynamics, which is shown to be highly dependent on the shape of the quantum dot.Comment: 6 pages, 6 figures, submitted to Phys. Rev.