Related papers: First-principles computational methods for quantum…
Defects, and in particular topological defects, are architectural motifs that play a crucial role in natural materials. Here we provide a systematic strategy to introduce such defects in mechanical metamaterials. We first present…
Snapshots, i.e. projective measurements of local degrees of freedom, are the most standard data taken in experiments on quantum simulators. Snapshots are usually used to probe local physics. In this work we propose a simple protocol to…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Computational acceleration of performance-metric-based materials discovery via high-throughput screening and machine learning methods is becoming widespread. Nevertheless, development and optimization of the opto-electronic properties that…
For non-topological quantum materials, introducing defects can significantly alter their properties by modifying symmetry and generating a nonzero analytical index, thus transforming the material into a topological one. We present a method…
The interaction between carbon nanostructures like quantum dots and radiation can generate different effects inside the nanomaterial, with the use of computational methods such effects can be predicted and optimize the material allowing a…
We analyze a quantum computer (QC) design based on nuclear spin qubits in a quasi-one-dimensional (1D) chain of non-Kramers doublet atoms. We explore the use of spatial symmetry breaking to obtain control over the local dynamics of a qubit.…
Quantum physics modeling is technically complex and often non-descriptive. This article presents some approaches how quantum physical ideas can be represented by haptic models. For this purpose, models made from 3D printers, models made…
Several topics on the implementation of spin qubits in quantum dots are reviewed. We first provide an introduction to the standard model of quantum computing and the basic criteria for its realization. Other alternative formulations such as…
Spin defects in two-dimensional materials are a promising platform for quantum sensing. Simulating the defect's optical response and optically detected magnetic resonance (ODMR) contrast is key to identifying suitable candidates. However,…
Quantum mechanics---the theory describing the fundamental workings of nature---is famously counterintuitive: it predicts that a particle can be in two places at the same time, and that two remote particles can be inextricably and…
Quantum computers have the potential to efficiently solve problems in logistics, drug and material design, finance, and cybersecurity. However, millions of qubits will be necessary for correcting inevitable errors in quantum operations. In…
Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…
The first prototypes of quantum computers sparked interest in quantum computing and the basic principles of quantum mechanics. The education project on the physical bases of quantum computing is part of this context, based on the…
Quantum sensing with solid-state spin defects has transformed nanoscale metrology, offering sub-wavelength spatial resolution with exceptional sensitivity to multiple signal types. Maximizing these advantages requires minimizing both the…
Being atomically thin and amenable to external controls, two-dimensional (2D) materials offer a new paradigm for the realization of patterned qubit fabrication and operation at room temperature for quantum information sciences applications.…
Mathematical models of quantum computers such as a multidimensional quantum Turing machine and quantum circuits are described and its relations with lattice spin models are discussed. One of the main open problems one has to solve if one…
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than…
Two-dimensional (2D) materials are a family of layered materials exhibiting rich exotic phenomena, such as valley-contrasting physics. Down to single-particle level, unraveling fundamental physics and potential applications including…
The successful exfoliation of graphene from graphite has brought significant attention to predicting new two-dimensional (2D) materials that can be realized experimentally. As a consequence, first-principles studies of novel 2D materials…