Chiara Cappelli

66PUBLICATIONS
121CO-AUTHORS
Formal methods for softwareBiomolecular modelling and designGene and molecular therapyNonlinear optics and spectroscopyTheoretical quantum chemistry
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Publications (66)

|Apr 06, 2026
e T 2.0: An efficient open-source molecular electronic structure program.

Sarai Dery Folkestad, Eirik F Kjønstad, Alexander C Paul

|Mar 08, 2026
The Role of Non-covalent Interactions in the Molecular Recognition and Attachment of the Chikungunya Virus to the MXRA8 Receptor.

Vanessa Gallego, Santiago A Gómez, Sara Gómez

|Feb 27, 2026
Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations.

Alejandro Arias, Chiara Cappelli, Albeiro Restrepo

|Feb 11, 2026
Atomistic QM/Classical Modeling of Surface-Enhanced Infrared Absorption.

Sveva Sodomaco, Piero Lafiosca, Tommaso Giovannini

|Feb 10, 2026
DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges.

Matteo Rinaldi, Chiara Sepali, Alicia M Kirk

|Jan 27, 2026
Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges Model.

Francesco Mazza, Marco Trinari, Chiara Sepali

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Frequent Collaborators

48 joint publications

Tommaso Giovannini

25 joint publications

Sara Gómez

12 joint publications

Albeiro Restrepo

11 joint publications

Piero Lafiosca