415 citations · 1.6k across the 38 of their papers we have counts for
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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…