most citedAccurate quantum-centric simulations of supramolecular interactions

6 citations · 10 across the 3 of their papers we have counts for

collaborators

10 papers

physics.chem-ph2025

Sample-based quantum diagonalization as parallel fragment solver for the localized active space self-consistent field method

Qiaohong Wang, Mario Motta, Ruhee D'Cunha +7

Accurately and efficiently describing strongly correlated electronic systems is a central challenge in quantum computational chemistry, with classical and quantum computers. The lo…

quant-ph2025

Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale

Tomonori Shirakawa, Javier Robledo-Moreno, Toshinari Itoko +18

Quantum computers must operate in concert with classical computers to deliver on the promise of quantum advantage for practical problems. To achieve that, it is important to unders…

quant-ph2025

Quantum chemistry with provable convergence via randomized sample-based Krylov quantum diagonalization

Samuele Piccinelli, Alberto Baiardi, Stefano Barison +12

Quantum algorithms based on classical processing of individual samples have recently emerged as the most effective and robust methods to approximate ground-state wave functions of…

quant-ph2025

Symmetry-guided quantum state preparation: Branched-Subspaces Adiabatic Preparation (B-SAP)

Davide Cugini, Giacomo Guarnieri, Mario Motta +1

Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and da…

quant-ph2025

Non-equilibrium thermodynamics of precision through a quantum-centric computation

Mario Motta, Antonio Mezzacapo, Giacomo Guarnieri

Thermodynamic uncertainty relations (TURs) are a set of inequalities expressing a fundamental trade-off between precision and dissipation in non-equilibrium classical and quantum t…

quant-ph2025

Enhancing the accuracy and efficiency of sample-based quantum diagonalization with phaseless auxiliary-field quantum Monte Carlo

Don Danilov, Javier Robledo-Moreno, Kevin J. Sung +2

Quantum Selected Configuration Interaction (QSCI) and an extended protocol known as Sample-based Quantum Diagonalization (SQD) have emerged as promising algorithms to solve the ele…