415 citations · 1.2k across the 31 of their papers we have counts for
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Quantum Algorithm for Simulating Single-Molecule Electron Transport
Soran Jahangiri, Juan Miguel Arrazola, Alain Delgado
An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron tr…
Quantum Algorithm for Simulating Molecular Vibrational Excitations
Soran Jahangiri, Juan Miguel Arrazola, Nicolás Quesada +1
The excitation of vibrational modes in molecules affects the outcome of chemical reactions, for example by providing molecules with sufficient energy to overcome activation barrier…
Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model
Gabriel Gil, Silvio Pipolo, Alain Delgado +2
We develop an extension of the time-dependent equation-of-motion formulation of the polarizable continuum model (EOM-TDPCM) to introduce nonequilibrium cavity field effects in quan…