54 citations · 107 across the 10 of their papers we have counts for
11 papers
Strictly localized orbitals from spatial partitioning with the discontinuous Galerkin method
César Feniou, Julien Toulouse
We present a rigorous electronic-structure theory of strictly localized orbitals associated with a spatial partition of the one-electron Hilbert space that remains well defined in…
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…
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…
Logarithmic-depth quantum state preparation of polynomials
Baptiste Claudon, Alexis Lucas, Jean-Philip Piquemal +2
Quantum state preparation is a central primitive in many quantum algorithms, yet it is generally resource intensive, with efficient constructions known only for structured families…
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…
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…
Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction
Diata Traore, Olivier Adjoua, César Feniou +8
Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections (DBBSC) to obtai…
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…
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…
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…
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…