Research
Research
Research
Research
12,664+ open-access research outputs.
Exciton-phonon interactions in transition metal dichalcogenides (TMD) are strong and lead to phenomena such as coherent phonon generation. When stacked and twisted, their properties can be tuned by th…
Polar metals, materials in which electric polarisation and metallicity coexist, are exceptionally rare because itinerant electrons screen long-range dipoles and favour centrosymmetric structures. Engi…
Complex quantum systems are often multiscale in nature with strong interactions between different scales. We present a novel idea: iteratively suppressing, rather than tracing out, the fast, high-ener…
We present quantitative evidence that high-quality internucleon forces derived from $\chi$EFT exhibit a striking dominance of Wigner's supermultiplet symmetry, without invoking the large-$N_c$ limit o…
We present a unified description of heavy hybrid hadrons based on a constituent-gluon picture embedded in the Born-Oppenheimer (BO) framework. In this approach, the gluonic excitation is treated as a …
There exists a geometric phase for a quantum state during the adiabatic evolution of the system. If the adiabatic procedure happens between the system and the environment interacting with it similar t…
The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel …
We explore the ground-state properties of a single impurity immersed in a one-dimensional quantum droplet medium formed by a two-component Bose mixture. Relying on ab-initio simulations, we demonstrat…
Topological defects play a fundamental role in the investigation of symmetries in quantum field theories. For conformal field theories in two space-time dimensions, it is possible to construct these d…
Universal machine-learned interatomic potentials (uMLIPs) offer a promising approach to performing atomistic simulations at near-DFT accuracy with greatly reduced computational cost. Here, we present …
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…
Material properties are fundamentally dictated by multiscale phenomena, which often reach mesoscale in size. The {\mu}m mesoscale is also the size which can be observed directly under an optical micro…
We investigate the nonequilibrium dynamics of core-hole excitations in a one-dimensional fermionic few-body system consisting of a spin-polarized Fermi bath coupled to a single heavy mobile impurity. …
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation…
We present converged ab initio calculations of short-range neutrinoless double-beta ($0\nu\beta\beta$) decay nuclear matrix elements for the key experimental isotopes $^{76}$Ge, $^{82}$Se, $^{130}$Te …
We present a comprehensive first-principles investigation of a hypothetical cubic Pm-3m phase of the ternary hydride NaAlH3, focusing on its lattice dynamics, electronic structure, and electron-phonon…
The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defi…
The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resultin…
Photothermal (photonic) sintering crystallizes as-deposited amorphous LiCoO2 (LCO) cathodes for solid-state thin-film batteries using millisecond, surface-localized heating. However, process design of…
The Berry connection is a gauge-dependent quantity frequently used to describe the optical response of solids. Its evaluation requires a k-derivative with respect to the cell periodic-part of the Bloc…
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