Related papers: Identifying candidate hosts for quantum defects vi…
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…
Experimental materials science is experiencing significant growth due to automated experimentation and AI techniques. Integrated autonomous platforms are emerging, combining generative models, robotics, simulations, and automated systems…
Point defects in two-dimensional materials are of key interest for quantum information science. However, the space of possible defects is immense, making the identification of high-performance quantum defects extremely challenging. Here, we…
Developing new metal hydrides is a critical step toward efficient hydrogen storage in carbon-neutral energy systems. However, existing materials databases, such as the Materials Project, contain a limited number of well-characterized…
Quantum emitters serve as essential on-demand photonic resources, generating quantum states of light such as single photons and entangled photon pairs while serving as interfaces between light and matter. Buried in the solid state, quantum…
Quantum computing provides a new dimension in computation, utilizing the principles of quantum mechanics to potentially solve complex problems that are currently intractable for classical computers. However, little research has been…
Quantum technologies are poised to move the foundational principles of quantum physics to the forefront of applications. This roadmap identifies some of the key challenges and provides insights on materials innovations underlying a range of…
Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we propose using quantum-enhanced machine learning algorithms…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
The manipulation of neutral atoms by light is at the heart of countless scientific discoveries in the field of quantum physics in the last three decades. The level of control that has been achieved at the single particle level within arrays…
Effective molecular representations are essential for ligand-based virtual screening. We investigate how quantum data embedding strategies can improve this task by developing and evaluating a family of quantum-classical hybrid embedding…
There are several important solid-state systems, such as defects in solids, superconducting circuits and molecular qubits, for attractive candidates of quantum computations. Molecular qubits, which benefit from the power of chemistry for…
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…
Quantum information science may lead to technological breakthroughs in computing, cryptography and sensing. For the implementation of these tasks, however, complex devices with many components are needed and the quantum advantage may easily…
Quantum computing offers the potential to solve certain complex problems, yet, scaling monolithic processors remains a major challenge. Modular and distributed architectures are proposed to build large-scale quantum systems while bringing…
A quantum computer that stores information on two-state systems called quantum bits or qubits must be able to address and manipulate individual qubits, to effect coherent interactions between pairs of qubits, and to read out the value of…
We demonstrate the defect-free assembly of versatile target patterns of up 111 neutral atoms, building on a 361-site subset of a micro-optical architecture that readily provides thousands of sites for single-atom quantum systems. By…
Single organic molecules embedded in solid-state matrices exhibit remarkable optical properties, making them competitive candidates for single-photon sources and quantum nonlinear optical elements. However, the lack of long-lived internal…
We present a solid state implementation of quantum computation, which improves previously proposed optically driven schemes. Our proposal is based on vertical arrays of quantum dots embedded in a mesoporous material which can be fabricated…
There is a pressing need for more accurate computational simulations of the opto-electronic properties of defects in materials to aid in the development of quantum sensing platforms. In this work, we explore how quantum computers could be…