Research
Research
Research
Research
1,058+ open-access research outputs.
DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and energy stability, signif…
Making new methods for quantum problems often relies on using basic operations in linear algebra. Often these routines are hidden behind well-known libraries that have been optimized over decades. Att…
The emergence of classicality is fundamentally driven by the interaction between a quantum system and its environment. Foundational open-system approaches, notably the Caldeira-Leggett model, successf…
Correlations between the localized and conductive spins/charges have been the central issue of various fascinating quantum phenomena found on itinerant electron systems. Here, the obvious multiplet st…
Variational quantum algorithms offer a promising framework for solving eigenvalue problems on near-term quantum hardware, yet their applicability beyond electronic structure calculations remains relat…
Phase-field models for anisotropic fracture employ two complementary mechanisms: (i) the anisotropic crack density function, controlling direction-dependent fracture resistance, and (ii) the anisotrop…
We investigate the thermal responses of a harmonic oscillator chain coupled at its boundaries to heat baths held at different temperatures. This setup sustains a steady energy flux, continuously dissi…
Using density functional theory, we study the influence of hydrostatic pressure on the crystal structure of lanthanide monoxides, focusing on the monoxides formed by the fifteen elements of the lantha…
In this study, surface-enhanced Raman scattering (SERS) and density functional theory (DFT) calculations were combined to investigate the SERS spectra of Ln-citrate complexes (Ln: Tb, Dy, Ho, Er, Tm, …
Organising the space of entanglement structures of a multipartite quantum system is a much more challenging task than its bipartite version: while the local unitary (LU) orbit of a bipartite pure stat…
It was once conjectured that two graph states are local unitary (LU) equivalent if and only if they are local Clifford (LC) equivalent. This so-called LU-LC conjecture was disproved in 2007, as a pair…
The well-known graphical representation called the Lu-Fano plot was originally developed for multi-channel Rydberg spectroscopy, especially in quantum defect theory. The present study shows some of th…
Arbitrated quantum signature (AQS) schemes aim at ensuring the authenticity of a message with the help of an arbitrator. Moreover, they aim at preventing repudiation, both from a sender that denies th…
Accreted stars in the Milky Way (MW) preserve information about the progenitor galaxies where they formed in their chemical and kinematic properties. In this study, we use the chemo-dynamical signatur…
Quantum hypergraph states extend the well-studied class of graph states by taking into account multi-qubit interactions through hyperedges. They provide a powerful framework to represent a family of q…
We studied the structural, electronic, mechanical, and thermodynamic properties of N2CaNa full Heusler alloys using density functional theory (DFT). Results for the structural analysis establishes str…
Circle graph states are a structurally important family of graph states. The family's entanglement is a priori high enough to allow for universal measurement-based quantum computation (MBQC); however,…
Altermagnetism (AM) is an emerging magnetic order unifying essential characteristics of ferromagnetic and antiferromagnetic states. Despite zero net magnetization, altermagnets (AMs) exhibit spin-spli…
Atomic-scale disorder is conventionally regarded as detrimental to superconductivity; however, under specific conditions, it can enhance superconducting properties. Here, we investigate the role of su…
The presence of strong disorder can significantly impact electrical conduction in metallic systems. Here, we investigate the temperature dependence of the electrical resistivity, $\rho(T)$, in nonmagn…
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