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20212026
most citedOverlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze

54 citations

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14 papers · 1 filter

quant-ph2025

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer

Daniele Loco, Kisa Barkemeyer, Andre R. R. Carvalho +1

Demonstrating the practical utility of Noisy Intermediate-Scale Quantum (NISQ) hardware for recurrent tasks in Computer-Aided Drug Discovery is of paramount importance. We tackle t…

quant-ph2025

Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension

César Feniou, Christopher Cherfan, Julien Zylberman +3

First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators…

quant-ph2025

Quantum Circuits for the Metropolis-Hastings Algorithm

Baptiste Claudon, Pablo Rodenas-Ruiz, Jean-Philip Piquemal +1

Szegedy's quantization of a reversible Markov chain provides a quantum walk whose spectral gap is quadratically larger than that of the classical walk. Quantum computers are theref…

quant-ph2025★ 15 cited

Nonlinear Domain Engineering for Quantum Technologies

Tim F. Weiss, Alberto Peruzzo

The continuously growing effort towards developing real-world quantum technological applications has come to demand an increasing amount of flexibility from its respective platform…

quant-ph2025

Quantum Speedup for Nonreversible Markov Chains

Baptiste Claudon, Jean-Philip Piquemal, Pierre Monmarché

Quantum algorithms can potentially solve a handful of problems more efficiently than their classical counterparts. In that context, it has been discussed that Markov chains problem…

quant-ph2024★ 40 cited

Artificial Intelligence for Quantum Computing

Yuri Alexeev, Marwa H. Farag, Taylor L. Patti +25

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extend…

quant-ph2024★ 4 cited

Non-Iterative Disentangled Unitary Coupled-Cluster based on Lie-algebraic structure

Mohammad Haidar, Olivier Adjoua, Siwar Baddredine +2

Due to their non-iterative nature, fixed Unitary Coupled-Cluster (UCC) ansätze are attractive for performing quantum chemistry Variational Quantum Eigensolver (VQE) computations as…

quant-ph2024★ 15 cited

Programmable quantum circuits in a large-scale photonic waveguide array

Yang Yang, Robert J. Chapman, Akram Youssry +4

Over the past decade, integrated quantum photonic technologies have shown great potential as a platform for studying quantum phenomena and realizing large-scale quantum information…

quant-ph2023★ 19 cited

Polylogarithmic-depth controlled-NOT gates without ancilla qubits

Baptiste Claudon, Julien Zylberman, César Feniou +3

Controlled operations are fundamental building blocks of quantum algorithms. Decomposing -control-NOT gates () into arbitrary single-qubit and CNOT gates, is a crucial b…

quant-ph2023★ 21 cited

Sparse Quantum State Preparation for Strongly Correlated Systems

C. Feniou, O. Adjoua, B. Claudon +3

Quantum Computing allows, in principle, the encoding of the exponentially scaling many-electron wave function onto a linearly scaling qubit register, offering a promising solution…

quant-ph2023★ 11 cited

Leveraging Analog Quantum Computing with Neutral Atoms for Solvent Configuration Prediction in Drug Discovery

Mauro D'Arcangelo, Daniele Loco, Fresnel team +8

We introduce quantum algorithms able to sample equilibrium water solvent molecules configurations within proteins thanks to analog quantum computing. To do so, we combine a quantum…

quant-ph2023★ 6 cited

Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer

César Feniou, Muhammad Hassan, Baptiste Claudon +4

Hybrid quantum-classical adaptive Variational Quantum Eigensolvers (VQE) hold the potential to outperform classical computing for simulating many-body quantum systems. However, pra…

quant-ph2023★ 54 cited

Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze

César Feniou, Muhammad Hassan, Diata Traoré +3

ADAPT-VQE is a robust algorithm for hybrid quantum-classical simulations of quantum chemical systems on near-term quantum computers. While its iterative process systematically reac…

quant-ph2022★ 12 cited

Experimental graybox quantum system identification and control

Akram Youssry, Yang Yang, Robert J. Chapman +4

Understanding and controlling engineered quantum systems is key to developing practical quantum technology. However, given the current technological limitations, such as fabricatio…