Alessandra Mattei

5PUBLICATIONS
10CO-AUTHORS
Chemical thermodynamics and energeticsTheory and design of materialsComputational chemistryBiomolecular modelling and design
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Publications (5)

|Nov 08, 2024
Enhanced and Efficient Predictions of Dynamic Ionization through Constant-pH Adiabatic Free Energy Dynamics.

Richard S Hong, Busayo D Alagbe, Alessandra Mattei

|Nov 28, 2023
Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions.

Richard S Hong, Ana V Rojas, Rajni Miglani Bhardwaj

|Oct 17, 2022
A data-driven and topological mapping approach for the a priori prediction of stable molecular crystalline hydrates.

Richard S Hong, Alessandra Mattei, Ahmad Y Sheikh

|Aug 05, 2022
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields.

Alessandra Mattei, Richard S Hong, Hanno Dietrich

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