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20242026
most citedCrossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

1 citations · 2 across the 8 of their papers we have counts for

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math.PR2026

Large deviations, gradient flows and fluctuating hydrodynamics for fractional diffusion

Julien Barre, Hiroshi Horii

This work is a step towards a general understanding of fluctuations for systems of particles described at large scale by fractional diffusion. First, we derive formally a Large Dev…

cs.ET2026

Examining QRMI as a Unified Interface for Quantum-HPC Integration

Thomas Badts, Tim Boyle, Claudio Carvalho +25

The efficient and scalable integration of quantum resources into high-performance computing (HPC) environments requires standardized mechanisms for resource management, scheduling,…

math.AP2026

Diffusion stabilises time-periodic solutions in conservation laws coupled to a relaxation oscillator

Julien Barré, Nils Berglund, Hiroshi Horii

We study a viscous one-dimensional conservation law, coupled to a fast ordinary differential equation. For a vanishing viscosity, the system has an infinite-dimensional family of t…

quant-ph2026★ 1 cited

Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

Kenneth M. Merz, Akhil Shajan, Danil Kaliakin +21

We develop a workflow decomposing a molecule into fragments via quantum embedding and simulating them with a heterogeneous quantum-classical (HQC) method. We sample fragment electr…

cs.ET2026

Reference Architecture of a Quantum-Centric Supercomputer

Seetharami Seelam, Jerry M. Chow, Antonio Córcoles +10

Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using…

cs.DC2026

GPU-Accelerated Selected Basis Diagonalization with Thrust for SQD-based Algorithms

Jun Doi, Tomonori Shirakawa, Yukio Kawashima +2

Selected Basis Diagonalization (SBD) plays a central role in Sample-based Quantum Diagonalization (SQD), where iterative diagonalization of the Hamiltonian in selected configuratio…