#quantum computing
15 papers match
Quantum Computing Enabled ab initio Molecular Dynamics Simulations
Susanta Das, Subhamoy Bhowmik, Zhen Li +4
The paper presents a quantum‑classical workflow that combines a chemistry‑inspired LUCJ ansatz with Sample‑based Quantum Diagonalization to perform ab initio molecular dynamics, an…
Embedded quantum computing for many-body surface reaction
Dedong Wan, Xiaopeng Li, Yi Fan +3
The paper presents QC-DFET, a quantum‑computing density‑functional embedding framework that maps surface‑reaction active spaces onto compact qubit Hamiltonians and uses measurement…
Intro2QC: An Approachable Introduction to Quantum Computing for STEM Education in High Schools
Jaimie A. Greasley, Thomas E. Baker
The paper presents Intro2QC, a 90‑minute outreach workshop and accompanying online tutorial that introduces high‑school students to quantum computing concepts and their real‑world…
KQFuzz: Knowledge-Guided Fuzzing for Quantum Libraries via Large Language Models
Fuyuan Xia, Qixin Zhang, Chenhao Ying +5
The paper introduces KQFuzz, a knowledge-guided fuzzing framework that uses large language models to generate and mutate test programs for quantum libraries, achieving higher cover…
A short review on the maximum clique problem algorithms with classical, AI, and quantum methods
Raffaele Marino, Lorenzo Buffoni, Bogdan Zavalnij
The paper surveys algorithms for solving the maximum clique problem, covering classical exact and heuristic methods as well as recent graph neural network and quantum computing app…
AEGISS -- Atomic orbital and Entropy-based Guided Inference for Space Selection -- A novel semi-automated active space selection workflow for quantum chemistry and quantum computing applications
Fabio Tarocco, Pi A. B. Haase, Fabijan PavoÅ¡eviÄ +4
The paper introduces a semi‑automated workflow that combines atomic orbital projections with orbital entropy analysis to select balanced active spaces for multi‑reference quantum c…
Quantum Computing Hadron Fragmentation Functions in Light-Front Chromodynamics
Juan José Gálvez-Viruet, Felipe J. Llanes-Estrada, Nicolás MartÃnez de Arenaza +2
The paper introduces a quantum‑simulation framework based on light‑front QCD to compute hadron fragmentation functions from first principles, and demonstrates it by calculating the…
QAFE: Quantum accelerated multiscale finite element analysis
Yiren Wang, Michael Ortiz, Fehmi Cirak
The paper proposes a quantum‑classical framework (QAFE²) that uses quantum parallelism to solve many microscopic finite element problems simultaneously, achieving polylogarithmic s…
Cluster-configurational study of G-center in Silicon
Narayan Pokhrel, Kyungwha Park, Vsevolod Ivanov
The paper investigates the spin and optical characteristics of G‑centers in silicon using multiconfigurational quantum chemistry combined with DFT-optimized structures, and predict…
Improving Student Self-Confidence in Quantum Computing with the Qubit Touchdown Board Game
Kristina Armbruster, Gintaras Duda, Thomas G. Wong
The paper presents Qubit Touchdown, a competitive board game designed to introduce high school students to quantum computing, and reports that playing the game increased students'…
Quantum Space-Time Tradeoffs for TSP via Extremal Set Systems
Justin Dallant
The paper presents a quantum algorithm for the Traveling Salesman Problem that leverages extremal set systems and quantum minimum finding to achieve improved space–time tradeoffs c…
MQAdapter: Multi-Modal Quantum Adapter for Coarse-to-Fine VLM Fine-tuning
Yumiao Zhao, Bo Jiang, Min Lu +2
The paper introduces MQAdapter, a parameter‑efficient adapter that uses quantum state encoding to refine visual features with top‑K semantic anchors, enabling coarse‑to‑fine fine‑t…
Stochastic Quantum Spiking Neural Networks with Quantum Memory and Local Learning
Jiechen Chen, Bipin Rajendran, Osvaldo Simeone
The paper introduces a stochastic quantum spiking neuron that uses multi‑qubit circuits for internal quantum memory and enables event‑driven spike generation, and shows how network…
A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model
Shintaro Maekawa, Takao Otsuka, Riku Masui +4
The paper presents a workflow that builds reduced Hamiltonians from SA-CASSCF calculations for a cytochrome P450‑inspired iron complex, maps them to quantum circuits, and runs mult…
Barium-based Rydberg atom quantum technologies with long Rydberg coherence
Xiao-Feng Shi
The paper proposes a two‑photon excitation scheme for a specific barium Rydberg state that removes Doppler‑limited decoherence, providing long coherence times and strong dipole‑dip…
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