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We present a density-functional theory trend study addressing the binding of the trans-cis conformational switch azobenzene (C6H5-N=N-C6H5) at three coinage metal surfaces. From the reported detailed energetic, geometric, and electronic…
The transport properties of an interacting one-dimensional quantum dot capacitively coupled to an atomic force microscope probe are investigated. The dot is described within a Luttinger liquid framework which captures both Friedel and…
Due to the forming of low-energy flat bands, the moir\'e superlattices of the transition metal dichalcogenides are fascinating platforms for studying novel correlated states when such flat bands are fractionally filled, with the Coulomb…
We study the convergence of a linear atomic cluster expansion (ACE) potential with respect to its basis functions, in terms of the effective two-body interactions of elemental Carbon and Silicon systems. We build ACE potentials with…
We study the elementary processes behind one of the pioneering works on STM controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation…
Background The nuclear structure of the cluster bands in $^{20}$Ne presents a challenge for different theoretical approaches. It is especially difficult to explain the broad 0$^+$, 2$^+$ states at 9 MeV excitation energy. Simultaneously, it…
Bare Si(100)-2$\times$1 surface atoms exhibit a buckled structure where one Si atom in a dimer is lowered while the other is raised, leading to two possible buckling configurations equivalent in energy. The relatively low energy barrier…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
In recent years, locomotion mechanisms exhibited by vertebrate animals have been the inspiration for the improvement in the performance of robotic systems. These mechanisms include the adaptability of their locomotion to any change…
In this work, we experimentally validate the dual use of a reconfigurable photonic integrated mesh as a neuromorphic accelerator, targeting signal equalization, and as a physical unclonable function offering authentication at the hardware…
The nuGeN experiment searches for coherent elastic neutrino-nucleus scattering (CEvNS) at the Kalinin Nuclear Power Plant. A 1.41-kg high-purity low-threshold germanium detector surrounded by active and passive shielding is deployed at the…
A theoretical study of elastic electron collisions with 9 conformers of the gas-phase amino acid $\alpha$-alanine (CH$_3$CH(NH$_2$)COOH) is performed. The eigenphase sums, resonance features, differential and integral cross sections are…
Analog computing at the edge is an emerging strategy to limit data storage and transmission requirements, as well as energy consumption, and its practical implementation is in its initial stages of development. Translating properties of…
It is shown that if, from the starting point of a universal rank-one mass matrix long favoured by phenomenologists, one adds the assumption that it rotates (changes its orientation in generation space) with changing scale, one can…
A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational…
Sn is a well-known classical superconductor on the border between type I and type II with critical temperature of 3.722K and critical field of 0.031T. We show by means of specific heat and electric magneto-transport data that its critical…
We propose nucleon energy correlators (NECs) as a novel framework to probe electroweak light-quark dipole operators in deep inelastic scattering with an unpolarized nucleon. These operators encode chirality-flipping interactions, whose…
Among wurtzite-type ferroelectrics, scandium-doped aluminum nitride (ScAlN) has emerged as a leading candidate for CMOS-compatible low-voltage memory, combining strong spontaneous polarization with process compatibility. A remarkable…
Coplanar microwave resonators made of 330 nm-thick superconducting YBCO have been realized and characterized in a wide temperature ($T$, 2-100 K) and magnetic field ($B$, 0-7 T) range. The quality factor $Q_L$ exceeds 10$^4$ below 55 K and…
A very stable binding site for the interaction between an pentameric oligothiophene and an amyloid-$\beta$(1-42) fibril has been identified by means of non-biased molecular dynamics simulations. In this site, the probe is locked in an…