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

54 citations

Showing 2025 · quant-phShow all

5 papers · 2 filters

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…