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

54 citations

Showing 2023Show all

8 papers · 1 filter

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…

physics.optics2023★ 43 cited

Programmable high-dimensional Hamiltonian in a photonic waveguide array

Yang Yang, Robert J. Chapman, Ben Haylock +4

Waveguide lattices offer a compact and stable platform for a range of applications, including quantum walks, topological effects, condensed matter system simulation, and classical…

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…

physics.chem-ph2023★ 23 cited

Lambda-ABF: Simplified, Portable, Accurate and Cost-effective Alchemical Free Energy Computations

Louis Lagardère, Lise Maurin, Olivier Adjoua +4

We introduce an efficient and robust method to compute alchemical free energy differences, resulting from the application of multiple walker Adaptive Biasing Force (ABF) in conjunc…

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…

physics.chem-ph2023★ 29 cited

TREXIO: A File Format and Library for Quantum Chemistry

Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar +13

TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of prov…

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…