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The Message-Passing Interface (MPI) and C++ form the backbone of high-performance computing, but MPI only provides C and Fortran bindings. While this offers great language interoperability, high-level programming languages like C++ make…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-13 Tim Niklas Uhl , Matthias Schimek , Lukas Hübner , Demian Hespe , Florian Kurpicz , Christoph Stelz , Peter Sanders

We present a wide-reaching revamp of the generalized many-body expanded full configuration interaction (MBE-FCI) method. First, we outline how to automatize the selection of reference active spaces whereby the inherent bias introduced…

Chemical Physics · Physics 2024-06-18 Jonas Greiner , Jürgen Gauss , Janus J. Eriksen

OpenSBLI is an open-source code-generation system for compressible fluid dynamics (CFD) on heterogeneous computing architectures. Written in Python, OpenSBLI is an explicit high-order finite-difference solver on structured curvilinear…

Computational Physics · Physics 2021-07-14 David J. Lusher , Satya P. Jammy , Neil D. Sandham

Full configuration interaction quantum Monte Carlo (FCIQMC) is a state-of-the-art stochastic electronic structure method, providing a methodology to compute FCI-level state energies of molecular systems within a quantum chemical basis.…

Chemical Physics · Physics 2022-04-29 Tonghuan Jiang , Wei Fang , Ali Alavi , Ji Chen

Bipartite quantum interactions have applications in a number of different areas of quantum physics, reaching from fundamental areas such as quantum thermodynamics and the theory of quantum measurements to other applications such as quantum…

Quantum Physics · Physics 2018-12-21 Stefan Bäuml , Siddhartha Das , Mark M. Wilde

Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…

Quantum Physics · Physics 2025-10-21 Mohammad Haidar , Marko J. Rančić , Thomas Ayral , Yvon Maday , Jean-Philip Piquemal

The openQ*D code for the simulation of QCD+QED with C$^\star$ boundary conditions is presented. This code is based on openQCD-1.6, from which it inherits the core features that ensure its efficiency: the locally-deflated SAP-preconditioned…

We describe an opto-electronic structure in which charge and spin degrees of freedom in electrical gate-defined quantum dots can be coherently coupled to light. This is achieved via electron-electron interaction or via electron tunneling…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hans-Andreas Engel , Jacob M. Taylor , Mikhail D. Lukin , Atac Imamoglu

Software-defined networking offers a device-agnostic programmable framework to encode new network functions. Externally centralized control plane intelligence allows programmers to write network applications and to build functional network…

Quantum Physics · Physics 2016-05-25 Venkat R. Dasari , Ronald J. Sadlier , Ryan Prout , Brian P. Williams , Travis S. Humble

We present a unified C++ implementation of the functional renormalization group and the parquet equations within the single-boson exchange formalism for several paradigmatic tight-binding and impurity models at equilibrium. The…

Strongly Correlated Electrons · Physics 2026-04-07 Aiman Al-Eryani , Miriam Patricolo , Kilian Fraboulet

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,…

Quantum Physics · Physics 2024-05-14 Sivaprasad Omanakuttan

OpenCL is an open standard for parallel programming of heterogeneous compute devices, such as GPUs, CPUs, DSPs or FPGAs. However, the verbosity of its C host API can hinder application development. In this paper we present cf4ocl, a…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-16 Nuno Fachada , Vitor V. Lopes , Rui C. Martins , Agostinho C. Rosa

We propose doubly occupied configuration interaction-quantum selected configuration interaction (DOCI-QSCI), which samples from the seniority-zero space. While the use of this space effectively doubles the qubit budget, equaling the number…

We introduce a framework for realizing universal fermionic quantum processing with globally controlled itinerant fermionic particles. Our approach is tailored to the example of neutral atoms in optical lattices, but transposes to other…

We present a universal fault-tolerant quantum computing architecture based on identical particle qubits (IPQs), where we find that the first-order IPQ - bath interaction fundamentally differs from the conventional first-order qubit-bath…

Quantum Physics · Physics 2026-02-25 S. L. Wu , Lian-Ao Wu

We propose an all-optical implementation of quantum-information processing in semiconductor quantum dots, where electron-hole excitations (excitons) serve as the computational degrees of freedom (qubits). We show that the strong dot…

Quantum Physics · Physics 2009-11-06 Filippo Troiani , Ulrich Hohenester , Elisa Molinari

We review quantum information processing with cold neutral particles, that is, atoms or polar molecules. First, we analyze the best suited degrees of freedom of these particles for storing quantum information, and then we discuss both…

Quantum Physics · Physics 2011-11-01 Antonio Negretti , Philipp Treutlein , Tommaso Calarco

Applications written in low-level languages without type or memory safety are especially prone to memory corruption. Attackers gain code execution capabilities through such applications despite all currently deployed defenses by exploiting…

Cryptography and Security · Computer Science 2014-07-03 Mathias Payer , Antonio Barresi , Thomas R. Gross

The wide spread of click-and-mortar model offers an opportunity to consider a universal commercial interaction method. However, issues like privacy protection resist the widespread acceptance. Traditional SET and SSL protocols are designed…

Cryptography and Security · Computer Science 2021-12-07 Mausumi Das Nath , Tapalina Bhattasali

We provide a spin-adapted formulation of the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) algorithm, based on the Graphical Unitary Group Approach (GUGA), which enables the exploitation of SU(2) symmetry within this…

Chemical Physics · Physics 2019-09-10 Werner Dobrautz , Simon Smart , Ali Alavi
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