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Chiara Cappelli

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

Publications (66)

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|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

Pageof 11

Frequent Collaborators

48 joint publications

Tommaso Giovannini

25 joint publications

Sara Gómez

12 joint publications

Albeiro Restrepo

11 joint publications

Piero Lafiosca

9 joint publications

Franco Egidi

6 joint publications

Natalia Rojas-Valencia

5 joint publications

Luca Nicoli

4 joint publications

Cacier Hadad

4 joint publications

Stefano Corni

3 joint publications

Henrik Koch

Frequent Collaborators

48 joint publications

Tommaso Giovannini

25 joint publications

Sara Gómez

12 joint publications

Albeiro Restrepo

11 joint publications

Piero Lafiosca

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