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By combining classical molecular dynamics simulations and density functional theory total energy calculations, we study the possibility of doping graphene with B/N atoms using low-energy ion irradiation. Our simulations show that the…
Creating dense and shallow nitrogen vacancy (NV) ensembles with good spin properties, is a prerequisite for developing diamond-based quantum sensors exhibiting better performance. Ion implantation is a key enabling tool for precisely…
Nitrogen-Vacancy (NV) centers in diamond are promising systems for quantum technologies, including quantum metrology and sensing. A promising strategy for the achievement of high sensitivity to external fields relies on the exploitation of…
We demonstrate highly-tunable formation of nitrogen-vacancy (NV) centers using 20 keV 15N+ ion implantation through arrays of high-resolution apertures fabricated with electron beam lithography. By varying the aperture diameters from 80 to…
The insertion of solvent particles in molecular dynamics simulations of complex fluids is required in many situations involving open systems, but this challenging task has been scarcely explored in the literature. We propose a simple and…
Dense and shallow ensembles of negatively charged nitrogen-vacancy centers (NV$^-$) with good optical and spin properties play a key role in the performance enhancement of diamond-based quantum sensors. Ion implantation enables precise…
Ion implantation is a non-equilibrium doping technique which introduces impurity atoms into a solid regardless of thermodynamic considerations. The formation of metastable alloys above the solubility limit, minimized contribution of lateral…
The nitrogen-vacancy center (NV) in diamond, with its exceptional spin coherence and convenience in optical spin initialization and readout, is increasingly used both as a quantum sensor and as a building block for quantum networks.…
We address the problem of interference management and power control in terms of maximization of a general utility function. For the utility functions under consideration, we propose a power control algorithm based on a fixed-point…
Nitrogen Vacancy (NV) centers in diamond are a platform for several important quantum technologies, including sensing, communication and elementary quantum processors. In this letter we demonstrate the creation of NV centers by implantation…
We present a highly efficient molecular dynamics scheme for calculating the concentration depth profile of dopants in ion irradiated materials. The scheme incorporates several methods for reducing the computational overhead, plus a rare…
We propose a method for deterministic implantation of single atoms into solids which relies on a linear ion trap as an ion source. Our approach allows a deterministic control of the number of implanted atoms and a spatial resolution of less…
Several solid state quantum computer schemes are based on the manipulation of electron and nuclear spins of single donor atoms in a solid matrix. The fabrication of qubit arrays requires the placement of individual atoms with nanometer…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
Nitrogen vacancy (NV) centers in diamond have distinct promise as solid-state qubits. This is because of their large dipole moment, convenient level structure and very long room-temperature coherence times. In general, a combination of ion…
We describe an efficient quantum embedding framework for realistic ab initio density matrix embedding (DMET) calculations in solids. We discuss in detail the choice of orbitals and mapping to a lattice, treatment of the virtual space and…
Quantum technologies are developing powerful tools to generate and manipulate coherent superpositions of different energy levels. Envisaging a new generation of energy-efficient quantum devices, here we explore how coherence can be…
Defect engineering is foundational to classical electronic device development and for emerging quantum devices. Here, we report on defect engineering of silicon single crystals with ion pulses from a laser accelerator with ion flux levels…
Artificial Intelligence algorithms are introduced in this work as a tool to predict the performance of new chemical compounds as alternative propellants for electric propulsion, focusing on predicting their ionisation characteristics and…
This work targets the automated minimum-energy optimization of Quantized Neural Networks (QNNs) - networks using low precision weights and activations. These networks are trained from scratch at an arbitrary fixed point precision. At…