Benedetta Mennucci
Pisa, 56124, Italy
Last Updated: 09/26/2026
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Found 165 publications
The Newton-X platform for mixed quantum-classical dynamics.
Journal: Physical chemistry chemical physics : PCCP
Published: June 16, 2026
An Efficient PCM Scheme for ESA Oscillator Strengths within the Unrelaxed TD-DFT Approximation.
Journal: Journal of chemical theory and computation
Published: March 31, 2026
Atomistic simulations reveal the photoactivation mechanism of a carotenoid-binding photoreceptor.
Journal: Proceedings of the National Academy of Sciences of the United States of America
Published: March 12, 2026
Multiscale Machine Learning Prediction of Infrared Spectra of Solvated Molecules.
Journal: Journal of chemical theory and computation
Published: February 11, 2026
Machine-Learning Framework for Excitation Energies of Chromophores in Polarizable Environments.
Journal: Journal of chemical information and modeling
Published: January 31, 2026
Theory of photosynthetic membrane influence on B800-B850 energy transfer in the LH2 complex.
Journal: Biophysical journal
Published: October 31, 2025
Multiscale Simulation of Photoinduced Electron Transfer in Cryptochrome 4 from European Robin and Pigeon Indicates a Conserved Dynamics.
Journal: The journal of physical chemistry letters
Published: August 21, 2025
Structural determinants for red-shifted absorption in higher-plants Photosystem I.
Journal: The New phytologist
Published: April 16, 2025
Fluorescent Rhodopsins: A Challenging Test for Cost-Effective QM/MM Approaches.
Journal: The journal of physical chemistry. A
Published: February 04, 2025
A Computational Approach to Modeling Excitation Energy Transfer and Quenching in Light-Harvesting Complexes.
Journal: The journal of physical chemistry. B
Published: December 20, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour.
Journal: Journal of computational chemistry
Published: September 25, 2024
Protein-Driven Electron-Transfer Process in a Fatty Acid Photodecarboxylase.
Journal: JACS Au
Published: September 16, 2024
Last Updated: 09/26/2026