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Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…

Computational Physics · Physics 2025-12-01 I. S. Galtsov , R. V. Muratov , G. V. Vyskvarko , S. A. Murzov , S. A. Dyachkov , P. R. Levashov

Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum computation despite the limitations of current quantum…

Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…

Chemical Physics · Physics 2023-09-25 Zeno Schätzle , Bernát Szabó , Matĕj Mezera , Jan Hermann , Frank Noé

Context: The emergence of quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. The ability of quantum computers to scale computations beyond what the…

Quantum Physics · Physics 2024-08-07 Vlad Stirbu , Otso Kinanen , Majid Haghparast , Tommi Mikkonen

The practical realization of quantum programs that require large-scale qubit systems is hindered by current technological limitations. Distributed Quantum Computing (DQC) presents a viable path to scalability by interconnecting multiple…

Experience from seven decades of classical computing suggests that a sustainable computer industry depends on a community of software engineers writing programs to address a wide variety of specific end-user needs, achieving both…

Unit Commitment (UC) is a core optimization problem in power system operation and electricity market scheduling. It determines the optimal on/off status and dispatch of generating units while satisfying system, operational, and market…

Quantum Physics · Physics 2026-01-06 Milad Hasanzadeh , Ali Rajabi , Amin Kargarian

The loss of quantum information due to interaction with external degrees of freedom, which is known as decoherence, remains one of the main obstacles for large-scale implementations of quantum computing. Accordingly, different measures are…

Quantum Physics · Physics 2012-06-13 Gonzalo A. Alvarez , Alexandre M. Souza , Dieter Suter

This paper aims to investigate the effectiveness of the recently proposed Boosted Difference of Convex functions Algorithm (BDCA) when applied to clustering with constraints and set clustering with constraints problems. This is the first…

Optimization and Control · Mathematics 2023-10-24 Tuyen Tran , Kate Figenschou , Phan Tu Vuong

Practical quantum computing applications to power grids are nonexistent at the moment. This paper investigates how a fundamental grid problem, namely DC power flow, can be solved using quantum computing. Power flow is the most widely used…

Quantum Physics · Physics 2021-06-29 Rozhin Eskandarpour , Kumar Ghosh , Amin Khodaei , Aleksi Paaso

The variational principle serves as a fundamental framework for describing equilibrium states of physical systems via the minimization or extremization of an energy-like functional. While quantum algorithms have demonstrated promising…

Quantum Physics · Physics 2025-08-26 Katsuhiro Endo , Kazuaki Z. Takahashi

Quantum computing has the potential to offer substantial computational advantages over conventional computing. Recent advances in quantum computing hardware and algorithms have enabled a class of classically parallel quantum workloads,…

We conducted a systematic survey of emerging quantum-HPC platforms, which integrate quantum computers and High-Performance Computing (HPC) systems through co-location. Currently, it remains unclear whether such platforms provide tangible…

The emergence of quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. The ability of quantum computers to scale computations implies better performance and…

Software Engineering · Computer Science 2024-03-29 Vlad Stirbu , Majid Haghparast

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic focus to a thriving commercial sector is reflected in…

Exponential increases in scientific experimental data are outstripping the rate of progress in silicon technology. As a result, heterogeneous combinations of architectures and process or device technologies are increasingly important to…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-02 Wilkie Olin-Ammentorp , Xingfu Wu , Andrew A. Chien

Quantum computing promises to tackle technological and industrial problems insurmountable for classical computers. However, today's quantum computers still have limited demonstrable functionality, and it is expected that scaling up to…

We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ans\"atze which are used to variationally solve the electronic structure problem on quantum computers. A brief history of coupled cluster (CC) methods is provided,…

This paper presents the design of scalable quantum networks that utilize optical switches to interconnect multiple quantum processors, facilitating large-scale quantum computing. By leveraging these novel architectures, we aim to address…

The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…