Related papers: Quantum point defects in 2D materials: The QPOD da…
Defects are a universal feature of crystalline solids, dictating the key properties and performance of many functional materials. Given their crucial importance yet inherent difficulty in measuring experimentally, computational methods…
The high-throughput screening of periodic inorganic solids using machine learning methods requires atomic positions to encode structural and compositional details into appropriate material descriptors. These atomic positions are not…
Calculating the quasiparticle (QP) band structure of two-dimensional (2D) materials within the GW self-energy approximation has proven to be a rather demanding computational task. The main reason is the strong $\mathbf{q}$-dependence of the…
Two-dimensional (2D) silicon carbide is an emergent direct band-gap semiconductor, recently synthesized, with potential applications in electronic devices and optoelectronics. Here, we study nuclear quantum effects in this 2D material by…
Quantum Parametric Circuits are constructed as an alternative to reduce the size of quantum circuits, meaning to decrease the number of quantum gates and, consequently, the depth of these circuits. However, determining the optimal circuit…
Identifying scalable materials systems that exhibit quantum behavior is a central challenge in quantum information science. Point defects in certain wide-bandgap semiconductors are promising in this regard due to the maturity of…
We present an example of quantum process tomography (QPT) performed on a single solid state qubit. The qubit used is two energy levels of the triplet state in the Nitrogen-Vacancy defect in Diamond. Quantum process tomography is applied to…
A fundamental challenge for quantum information processing is reducing the impact of environmentally-induced errors. Quantum error detection (QED) provides one approach to handling such errors, in which errors are rejected when they are…
The development of programmable quantum devices can be measured by the complexity of manybody states that they are able to prepare. Among the most significant are topologically ordered states of matter, which enable robust quantum…
We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic and transport properties of more than one thousand 2D materials from the C2DB database. We identify hundreds of anisotropic materials and classify them…
The quantum Drude oscillator (QDO) is an efficient yet accurate coarse-grained approach that has been widely used to model electronic and optical response properties of atoms and molecules, as well as polarization and dispersion…
We study symmetry protected features in the quasiparticle interference (QPI) pattern of 2D systems with mirror symmetries and time-reversal symmetry, around a single static point impurity. We show that, in the Fourier transformed local…
High-energy particle collisions can convert energy into matter through the inelastic production of new particles. Quantum computers are an ideal platform for simulating the out-of-equilibrium dynamics of collisions and the formation of…
One of the most challenging and recurring problems when modelling plasmas is the lack of data on key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of…
The scalability of photonic implementations of fault-tolerant quantum computing based on Gottesman-Kitaev-Preskill (GKP) qubits is injured by the requirements of inline squeezing and reconfigurability of the linear optical network. In this…
The construction of topological error correction codes requires the ability to fabricate a lattice of physical qubits embedded on a manifold with a non-trivial topology such that the quantum information is encoded in the global degrees of…
Doubly-parametric quantum transducers (DPTs), such as electro-opto-mechanical devices, show promise as quantum interconnects between the optical and microwave domains, thereby enabling long distance quantum networks between superconducting…
We present our novel evolutionary algorithm for generating Special Quasirandom Structures (SQS) designed to optimize the computational efficiency of Density Functional Theory (DFT) computations. Operating on the premise that symmetry…
The next generation of rare-event searches, such as those aimed at determining the nature of particle dark matter or in measuring fundamental neutrino properties, will benefit from particle detectors with thresholds at the meV scale,…
We propose a new scalable platform for quantum computing (QC) -- an array of optically trapped symmetric-top molecules (STMs) of the alkaline earth monomethoxide (MOCH$_3$) family. Individual STMs form qubits, and the system is readily…