activity
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

collaborators

10 papers

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…

quant-ph2025

Observability Architecture for Quantum-Centric Supercomputing Workflows

Naoki Kanazawa, Yuto Morohoshi, Hitomi Takahashi +3

Quantum-centric supercomputing (QCSC) workflows often involve hybrid classical-quantum algorithms that are inherently probabilistic and executed on remote quantum hardware, making…

quant-ph2025

Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale

Tomonori Shirakawa, Javier Robledo-Moreno, Toshinari Itoko +18

Quantum computers must operate in concert with classical computers to deliver on the promise of quantum advantage for practical problems. To achieve that, it is important to unders…

stat.ML2025

Optimal Condition for Initialization Variance in Deep Neural Networks: An SGD Dynamics Perspective

Hiroshi Horii, Sothea Has

Stochastic gradient descent (SGD), one of the most fundamental optimization algorithms in machine learning (ML), can be recast through a continuous-time approximation as a Fokker-P…

quant-ph2024★ 1 cited

Design and architecture of the IBM Quantum Engine Compiler

Michael B. Healy, Reza Jokar, Soolu Thomas +7

In this work, we describe the design and architecture of the open-source Quantum Engine Compiler (qe-compiler) currently used in production for IBM Quantum systems. The qe-compiler…