Stefano Caprasecca

A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations

Daniele Loco, Étienne Polack, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2016 · 188 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding

Daniele Loco, Louis Lagardère, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2017 · 124 citations · Full text

Quantum Dynamic, Engineering, Molecular Biology +16

Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria

Lorenzo Cupellini, Stefano Caprasecca, Ciro A. Guido et al. · The Journal of Physical Chemistry Letters · 2018 · 92 citations · Full text

Engineering, Photobiology, Efficient Light Harvesting +21

An <i>Ab Initio</i> Description of the Excitonic Properties of LH2 and Their Temperature Dependence

Lorenzo Cupellini, Sandro Jurinovich, Marco Campetella et al. · The Journal of Physical Chemistry B · 2016 · 77 citations · Full text

Crystal Structure, Charge Excitations, Engineering +26

Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach

Stefano Caprasecca, Carles Curutchet, Benedetta Mennucci · Journal of Chemical Theory and Computation · 2012 · 74 citations

Classical Mmpol Description, Engineering, Continuum Description +21