Related papers: Encoding Quantum Mechanics into Pentagonal Geometr…
Density functional theory (DFT) underpins modern atomistic simulations of transition-metal surfaces. It can predict key properties linked to catalytic performance, such as adsorption energies and barrier heights, enabling new paradigms in…
Efficiently detecting entanglement based on measurable quantities is a basic problem for quantum information processing. Recently, the measurable quantities called partial-transpose (PT)-moments have been proposed to detect and characterize…
Metamaterials have been a major research area for more than two decades now, involving artificial structures with predesigned electromagnetic properties constructed from deep subwavelength building blocks. They have been used to demonstrate…
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculation. The natural atomic orbitals are found to be stably…
When flat or on a firm mechanical substrate, the atomic composition and atomistic structure of two-dimensional crystals dictate their chemical, electronic, optical, and mechanical properties. These properties change when the two-dimensional…
Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…
Many-body physics of electron-electron correlations plays a central role in condensed mater physics, it governs a wide range of phenomena, stretching from superconductivity to magnetism, and is behind numerous technological applications. To…
Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…
From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z=118), it is estimated that as many as about 3000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but…
Carbon, the basic building block of our universe, enjoys a vast number of allotropic structures. Owing to its bonding characteristic, most carbon allotropes possess the motif of hexagonal rings. Here, with first-principles calculations, we…
We use two fundamental theoretical frameworks to study the finite-size (shell) properties of the unitary gas in a periodic box: 1) an ab initio Quantum Monte Carlo (QMC) calculation for boxes containing 4 to 130 particles provides a precise…
ComDMFT is a parallel computational package designed to study the electronic structure of correlated quantum materials from first principles. Our approach is based on the combination of first-principles methods and dynamical mean field…
The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-density electronic devices with potential applications ranging…
We introduce new representations to formulate quantum mechanics on noncommutative coordinate space, which explicitly display entanglement properties between degrees of freedom of different coordinate components and hence could be called…
Quantum entanglement shared between more than two particles is essential to foundational questions in quantum mechanics, and upcoming quantum information technologies. So far, up to 14 two-dimensional qubits have been entangled, and an open…
Cavity magnomechanics has become an ideal platform to explore macroscopic quantum effects. Bringing together magnons, phonons, and photons in a system, it opens many opportunities for quantum technologies. It was conventionally realized by…
The discovery of two-dimensional (2D) magnets has opened up new possibilities for miniaturizing spintronic devices to the monolayer limit. 2D half-metals, capable of conducting fully spin-polarized currents when spin-orbit coupling is…
Electromagnetic interactions serve as essential probes for studying and testing our understanding of the atomic nucleus, as they reveal emergent properties across the nuclear chart. We analyse their corresponding observables, which relate…
In addition to being a workhorse for modern quantum technologies, entanglement plays a key role in fundamental tests of quantum mechanics. The entanglement of photons in multiple levels, or dimensions, explores the limits of how large an…
Following a previous proposition of quaternity spacetime for electronic orbitals in neon shell, this paper describes the geometrical course each electron takes as it oscillates harmonically within a certain quaternity space dimension and…