Related papers: The CONQUEST code: large scale and linear scaling …
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…
This dissertation explores quantum computation using qudits encoded into large spins, emphasizing the concept of quantum co-design to harness the unique capabilities of physical platforms for enhanced quantum information processing. First,…
High-throughput DFT calculations are key to screening existing/novel materials, sampling potential energy surfaces, and generating quantum mechanical data for machine learning. By including a fraction of exact exchange (EXX), hybrid…
To unleash the potential of quantum computers, noise effects on qubits' performance must be carefully managed. The decoders responsible for diagnosing noise-induced computational errors must use resources efficiently to enable scaling to…
Subgraph matching is a basic operation widely used in many applications. However, due to its NP-hardness and the explosive growth of graph data, it is challenging to compute subgraph matching, especially in large graphs. In this paper, we…
We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…
We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…
Achieving a practical advantage with near-term quantum computers hinges on having effective methods to suppress errors. Recent breakthroughs have introduced methods capable of exponentially suppressing errors by preparing multiple noisy…
Error correcting codes protect quantum information and form the basis of fault tolerant quantum computing. Leading proposals for fault-tolerant quantum computation require codes with an exceedingly rare property, a transverse non-Clifford…
Contrastive loss is a powerful approach for representation learning, where larger batch sizes enhance performance by providing more negative samples to better distinguish between similar and dissimilar data. However, scaling batch sizes is…
Given a quantum gate circuit, how does one execute it in a fault-tolerant architecture with as little overhead as possible? In this paper, we discuss strategies for surface-code quantum computing on small, intermediate and large scales.…
We introduce a construction for protocols for fault-tolerant quantum computing based on code concatenation and transversal gates. These protocols can be interpreted as families of quantum circuits of low-weight stabilizer measurements…
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…
The usual scenario in fault tolerant quantum computation involves certain amount of qubits encoded in each code block, transversal operations between them and destructive measurements of ancillary code blocks. We introduce a new approach in…
Computational high-throughput virtual screening is essential for identifying redox-active molecules for sustainable applications such as electrochemical carbon capture. A primary challenge in this approach is the high computational cost…
We present a comprehensive and self-contained simplified review of the quantum computing scheme of Phys. Rev. Lett. 98, 190504 (2007), which features a 2-D nearest neighbor coupled lattice of qubits, a threshold error rate approaching 1%,…
Vast numbers of qubits will be needed for large-scale quantum computing due to the overheads associated with error correction. We present a scheme for low-overhead fault-tolerant quantum computation based on quantum low-density parity-check…
Fault-tolerant quantum computation (FTQC) is expected to address a wide range of computational problems. To realize large-scale FTQC, it is essential to encode logical qubits using quantum error-correcting codes. High-rate concatenated…
Efficiently characterizing quantum dot (QD) devices is a critical bottleneck when scaling quantum processors based on confined spins. Measuring high-resolution charge stability diagrams (or CSDs, data maps which crucially define the…
Transitions of many-particle quantum systems between distinct phases at absolute-zero temperature, known as quantum phase transitions, require an exacting treatment of particle correlations. In this work, we present a general…