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20192026
most citedTinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

92 citations · 125 across the 11 of their papers we have counts for

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6 papers · 1 filter

quant-ph2026

The Convergence Frontier: Integrating Machine Learning and High Performance Quantum Computing for Next-Generation Drug Discovery

Narjes Ansari, César Feniou, Nicolaï Gouraud +13

Integrating quantum mechanics into drug discovery marks a decisive shift from empirical trial-and-error toward quantitative precision. However, the prohibitive cost of ab initio mo…

quant-ph2026

High Performance Quantum Emulation for Chemistry Applications with Hyperion

Olivier Adjoua, Siwar Badreddine, César Feniou +4

The strategic demand for quantum hardware currently outpaces the availability of near-term devices, necessitating high-performance software emulators to validate novel protocols. W…

quant-ph2025

An Optimized Construction of Lie Algebra Generator Pools for Variational Quantum Eigensolvers in Chemistry

Yaromir Viswanathan, Olivier Adjoua, César Feniou +2

Lie algebras are essential mathematical structures used in physics to describe sets of quantum operators. Identifying a minimal set of generators to construct these algebras is a c…

quant-ph20244 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-ph2023

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

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…