Related papers: QAssemble: A Pure Python Package for Quantum Many-…
Obtaining the symmetries of a model is a critical step towards developing an understanding and ultimately analytically or numerically solving the model. However, finding symmetries is generally extremely complicated, often being the result…
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory,…
The development of novel quantum many-body computational algorithms relies on robust benchmarking. However, generating such benchmarks is often hindered by the massive computational resources required for exact diagonalization or quantum…
In May 2016 IBM released access to its 5-qubit quantum computer to the scientific community, its "IBM Quantum Experience" since acquiring over 25,000 users from students, educators and researchers around the globe. In the short time since…
Based on the connection between the categorical derivation of classical programs from specifications and the category-theoretic approach to quantum physics, this paper contributes to extending the laws of classical program algebra to…
In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate `high-level' theory and glued together self-consistently by a less accurate `low-level' theory at the…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
QMCPACK has enabled cutting-edge materials research on supercomputers for over a decade. It scales nearly ideally but has low single-node efficiency due to the physics-based abstractions using array-of-structures objects, causing…
QASMTrans is a lightweight, high-performance, C++-based quantum compiler that bridges abstract quantum algorithms to device-level control and is designed for just-in-time (JIT) deployment on QPU testbeds with tightly integrated FPGAs or…
This work describes a new version of the Fast Multipole Method for summing pairwise particle interactions that arise from discretizing integral transforms and convolutions on the sphere. The kernel approximations use barycentric Lagrange…
On neutral atom platforms, preparing specific quantum states is usually achieved by pulse shaping, i.e., by optimizing the time-dependence of the Hamiltonian related to the system. This process can be extremely costly, as it requires…
Estimation of the energy of quantum many-body systems is a paradigmatic task in various research fields. In particular, efficient energy estimation may be crucial in achieving a quantum advantage for a practically relevant problem. For…
We elaborate the idea of quantum computation through measuring the correlation of a gapped ground state, while the bulk Hamiltonian is utilized to stabilize the resource. A simple computational primitive, by pulling out a single spin…
Quantum cloud computing is an emerging computing paradigm that allows seamless access to quantum hardware as cloud-based services. However, effective use of quantum resources is challenging and necessitates robust simulation frameworks for…
Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented…
Many-body systems of quantum interacting particles in which time-reversal symmetry is broken give rise to a variety of rich collective behaviors, and are therefore a major target of research in modern physics. Quantum simulators can…
The computational complexity of simulating quantum many-body systems generally scales exponentially with the number of particles. This enormous computational cost prohibits first principles simulations of many important problems throughout…
The complexity of quantum many-body problems scales exponentially with the size of the system, rendering any finite size scaling analysis a formidable challenge. This is particularly true for methods based on the full representation of the…
Collective excitations of many-body electron systems can carry internal structure, tied to the quantum geometry of the Hilbert space in which they are embedded. This has been shown explicitly for particle-hole-like excitations, which carry…
As quantum control approaches hardware-imposed performance limits, weak effects omitted by reduced models become consequential. Assumptions required for analytic tractability then cease to guide control design and instead constrain further…