32 citations · 66 across the 8 of their papers we have counts for
8 papers · 1 filter
Utility-scale quantum computational chemistry
Davide Castaldo, Markus Reiher
Chemistry and materials science are widely regarded as potential killer application fields for quantum hardware. While the dream of unlocking unprecedented simulation capabilities…
Heisenberg limited multiple eigenvalue estimation via off-the-grid compressed sensing
Davide Castaldo, Stefano Corni
Quantum phase estimation is the flagship algorithm for quantum simulation on fault-tolerant quantum computers. We demonstrate that an \emph{off-grid} compressed sensing protocol, c…
Ground and excited-state energies with analytic errors and short time evolution on a quantum computer
Timothy Stroschein, Davide Castaldo, Markus Reiher
Accurately solving the Schrödinger equation remains a central challenge in computational physics, chemistry, and materials science. Here, we propose an alternative eigenvalue probl…
A differentiable quantum phase estimation algorithm
Davide Castaldo, Soran Jahangiri, Agostino Migliore +2
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computi…
Fast-forwarding molecular ground state preparation with optimal control on analog quantum simulators
Davide Castaldo, Marta Rosa, Stefano Corni
We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by q…
Quantum simulation of molecules in solution
Davide Castaldo, Soran Jahangiri, Alain Delgado +1
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemist…
Quantum computing for classical problems: Variational Quantum Eigensolver for activated processes
Pierpaolo Pravatto, Davide Castaldo, Federico Gallina +3
The theory of stochastic processes impacts both physical and social sciences. At the molecular scale, stochastic dynamics is ubiquitous because of thermal fluctuations. The Fokker-…
Quantum optimal control with quantum computers: an hybrid algorithm featuring machine learning optimization
Davide Castaldo, Marta Rosa, Stefano Corni
We develop an hybrid quantum-classical algorithm to solve an optimal population transfer problem for a molecule subject to a laser pulse. The evolution of the molecular wavefunctio…