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Modern atomic physics applications in science and technology pose ever higher demands on the precision of computations of properties of atoms and ions. Especially challenging is the modeling of electronic correlations within the…
Quantum technologies such as communications, computing, and sensing offer vast opportunities for advanced research and development. While an open-source ethos currently exists within some quantum technologies, especially in quantum computer…
Ordinary differential equation models facilitate the understanding of cellular signal transduction and other biological processes. However, for large and comprehensive models, the computational cost of simulating or calibrating can be…
We introduce ProjectQ, an open source software effort for quantum computing. The first release features a compiler framework capable of targeting various types of hardware, a high-performance simulator with emulation capabilities, and…
Interacting fermions on a lattice can develop strong quantum correlations, which lie at the heart of the classical intractability of many exotic phases of matter. Seminal efforts are underway in the control of artificial quantum systems,…
We propose an efficient deterministic method to calculate the full configuration interaction (FCI) ground state energy. This method leverages the sparseness of the Lanczos basis vectors that span the Krylov subspace associated with the…
Efficient computation of molecular integrals and Hartree-Fock energy remains a central topic in quantum-chemistry algorithm development. Although many sophisticated open-source packages are available, understanding their implementations…
Executing quantum applications with quantum error correction (QEC) faces the gate non-universality problem imposed by the Eastin-Knill theorem. As one resource-time-efficient solution, code switching changes the encoding of logical qubits…
Confining electrons or holes in quantum dots formed in the channel of industry-standard fully depleted silicon-on-insulator CMOS structures is a promising approach to scalable qubit architectures. In this article, we present our results on…
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant resulting in errors when modelling properties like optical rotation and…
We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a quantum state for the quantum-selected configuration interaction…
Quantum conference key agreement (CKA) enables key sharing among multiple trusted users with information-theoretic security. Currently, the key rates of most quantum CKA protocols suffer from the limit of the total efficiency among quantum…
We introduce the Control Toolbox (CT), an open-source C++ library for efficient modeling, control, estimation, trajectory optimization and Model Predictive Control. The CT is applicable to a broad class of dynamic systems but features…
Quantum gates are the fundamental instructions of digital quantum computers. Current programming languages, systems, and software development toolkits identify these operational gates by their titles, which requires a shared understanding…
Quantum resources are increasingly integrated into high-performance computing (HPC) and cloud environments, but quantum high-performance computing (QHPC) software stacks remain isolated, often proprietary, full-stack solutions lacking…
Practical applications of quantum computing depend on fault-tolerant devices that employ error correction. A promising quantum error-correcting code for large-scale quantum computing is the surface code. For this code, Fault-Tolerant…
We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…
In this paper, we propose a general analysis framework for inexact power iteration, which can be used to efficiently solve high dimensional eigenvalue problems arising from quantum many-body problems. Under the proposed framework, we…
Multimodal conversational agents are highly desirable because they offer natural and human-like interaction. However, there is a lack of comprehensive end-to-end solutions to support collaborative development and benchmarking. While…
Many numerical simulation tools have been developed and are on the market, but there is still a strong need for appropriate tools capable to simulate multi-field problems, especially in aeroacoustics. Therefore, openCFS provides an…