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Uppsala University

Department of Physics and Astronomy

Effects of Varying Magnetosheath Flow and Dissipation on the Two-Dimensional Reconnection Structure at the Magnetopause
Fast Impurity Solver Based on Equations of Motion and Decoupling
GGA+ U modeling of structural, electronic, and magnetic properties of iron porphyrin-type molecules
Ab initio calculations of the electronic structure and magnetism of iron porphyrin-type molecules: a benchmarking study
Halide Ligated Iron Porphines: A DFT+ U and UB3LYP Study
The lithium intercalation process in the low-voltage lithium battery anode Li1+ xV1− xO2
Search for a Lorentz-violating sidereal signal with atmospheric neutrinos in IceCube
Nonlinear conductance in molecular devices: Molecular length dependence
We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use non-equilibrium Green functions (NEGF) and density functional... more
Critical roles of metal-molecule contacts in electron transport through molecular-wire junctions
Functionalized nanopore-embedded electrodes for rapid DNA sequencing
With the aim of improving nanopore-based DNA sequencing, we explored the effects of functionalizing the embedded gold electrodes with purine and pyrimidine molecules. Hydrogen bonds formed between the molecular probe and target bases... more
Differential conductance as a promising approach for rapid DNA sequencing with nanopore-embedded electrodes
We propose an approach for nanopore-based DNA sequencing using characteristic transverse differential conductance. Molecular dynamics and electron transport simulations show that the transverse differential conductance during the... more
Fast DNA sequencing via transverse differential conductance
We propose using characteristic transverse differential conductance for solid-state nanopore-based DNA sequencing and have explored this idea by performing molecular dynamics simulations on the translocation progress of single-stranded... more
Transverse conductance of DNA nucleotides in a graphene nanogap from first principles
The fabrication of nanopores in atomically-thin graphene has recently been achieved and translocation of DNA has been demonstrated. Taken together with an earlier proposal to use graphene nanogaps for the purpose of DNA sequencing, this... more
Interference effects in phtalocyanine controlled by HH tautomerization: a potential two-terminal unimolecular electronic switch
We investigate the electrical transport properties of two hydrogen tautomer configurations of phthalocyanine (H2Pc) connected to cumulene and gold leads. Hydrogen tautomerization affects the electronic state of H2Pc by switching the... more
Enhanced DNA sequencing performance through edge-hydrogenation of graphene electrodes
We propose using graphene electrodes with hydrogenated edges for solid-state nanoporebased DNA sequencing, and perform molecular dynamics simulations in conjunction with electronic transport calculations to explore the potential merits of... more
Diagnostics of RF Breakdowns in High-Gradient Accelerating Structures
Within the framework of the research on high-gradient accelerating structures for future linear colliders, diagnostics of radio-frequency (RF) breakdowns is of great importance to support the understanding of the vacuum breakdown process.... more
CTF3 Probe Beam Linac Commissioning and Operations
The probe beam Linac, CALIFES, of the CLIC Test Facility (CTF3) has been developed by CEA Saclay, LAL Orsay and CERN to deliver trains of short bunches (0.75 ps) spaced by 0.667 ns at an energy around 170 MeV with a charge of 0.6 nC to... more
Fast multi-orbital equation of motion impurity solver for dynamical mean field theory
We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions and constructed by generalizing from the single-orbital case... more
Advanced multi-orbital impurity solver for dynamical mean field theory based on the equation of motion approach
We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory (DMFT) based on equations of motion (EOM) of Green's functions and decoupling scheme. In this scheme the inter-orbital Coulomb interactions are... more
The CLIC Feasibility Demonstration in CTF3
The objec demonstrate technology: t drive beam, main beam t 100 MeV/m, of successfu energy gain deceleration (PETS) are p stability of th are discussed ing issues to