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Quantum interference (QI) effects in molecular systems are a topic of emerging interest in electron transport studies of single molecule junctions. In a recent Letter, Xia et al. employed a graphical scheme introduced by my colleagues and…
We employ the perturbation series expansion for derivation of the reduced master equations for the three-site Bose-Hubbard model subject to strong atom losses from the central site. The model describes a condensate trapped in a triple-well…
The current work investigates candidate building blocks based on molecular junctions from hydrogen transfer tautomerization in the benzoquinone-like core of an azophenine molecule with QTAIM and the recently-introduced stress tensor…
Entanglement properties of two uncoupled atoms embedded in a coherent field distribution through one quantum transition process is studied. A case of non-linear Hamiltonian of the problem is considered through which the effect of a…
We have fabricated a variety of novel molecular tunnel junctions based on self-assembled-monolayers (SAM) of two-component solid-state mixtures of molecular wires (1,4 methane benzene-dithiol; Me-BDT with two thiol anchoring groups), and…
Magic-angle twisted bilayer graphene is a tunable material with remarkably flat energy bands near the Fermi level, leading to fascinating transport properties and correlated states at low temperatures. However, grown pristine samples of…
Static properties of a bose-fermi mixture of trapped potassium atoms are studied in terms of coupled Gross-Pitaevskii and Thomas-Fermi equations for both repulsive and attractive bose-fermi interatomic potentials. Qualitative estimates are…
Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates in Earth's crust in that carbon binds to three oxygen atoms,…
Three problems in the statistical mechanics of models for an assembly of molecular motors interacting with cytoskeletal filaments are reviewed. First, a description of the hydrodynamical behaviour of density-density correlations in…
Coexistence of topological elements in a topological metal/semimetal (TM) has gradually attracted attentions. However, the non-topological factors always mess up the Fermi surface and cover interesting topological properties. Here, we find…
The transition between gapped (semiconducting) and gapless (metallic) phases and tunability of bandgap in materials is a very lucrative yet considerably challenging goal for new-age device preparation. For bulk materials and for…
We provide molecular dynamics simulation of heat transport in one-dimensional molecular chains with different interparticle pair potentials. We show that the thermal conductivity is finite in the thermodynamic limit in the chains with the…
Two new thiol compounds with {\sigma}-{\pi}-{\sigma} structure were synthesized and self-assembled on gold substrates. The morphology and the structural characterization of SAMs assessed by infrared spectroscopy, contact angle, XPS,…
Ultracold collisions of neutral atoms and molecules have been of great interest since experimental advances enabled the cooling and trapping of such species. This study is a theoretical investigation of a low-energy collision between an…
The problem of the availability of trajectories for the Feynman path integral is considered. Forbidden trajectories for single particle integrals are featured in the case of quantum tunneling across barriers. In the case of multiparticle…
In our paper (W\"olfle and Balatsky, Phys. Rev. B 98, 104505 (2018)) we presented a microscopic theory of superconductivity for doped SrTiO$_{3}$ by proposing two pairing mechanisms acting simultaneously with relative strength depending on…
Magic-angle twisted multilayer graphene stands out as a highly tunable class of moir\'e materials that exhibit strong electronic correlations and robust superconductivity. However, understanding the relations between the low-temperature…
We have investigated the effect of interlayer twist angle on lattice thermal conductivity (LTC) and band gap renormalization in boron nitride and carbon Moir\'e diamanes. Moment tensor potentials were used for calculating energies and…
To accelerate exploration of chemical space, it is necessary to identify the compounds that will provide the most additional information or value. A large-scale analysis of mononuclear octahedral transition metal complexes deposited in an…
We consider a general Hamiltonian describing coexistence of itinerant ferromagnetism, spin-orbit coupling and mixed spin-singlet/triplet superconducting pairing in the context of mean-field theory. The Hamiltonian is diagonalized and exact…