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6 results in Authors: Alessandro Caruso

Theoretical and Computational Chemistry

Working Paper

Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials

Alessandro Caruso, Xuanyu Zhu, John L. Fulton, Francesco Paesani

Version 2 posted 20 September 2022

473

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Theoretical and Computational Chemistry

Working Paper

Consistent Density Functional Theory-Based Description of Ion Hydration Through Density-Corrected Many-Body Representations

Etienne Palos, Alessandro Caruso, Francesco Paesani

Version 3 posted 02 November 2023

439

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Physical Chemistry

Working Paper

Data-Driven Many-Body Models Enable a Quantitative Description of Chloride Hydration from Clusters to Bulk

Alessandro Caruso, Francesco Paesani

Version 1 posted 14 June 2021

319

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Theoretical and Computational Chemistry

Working Paper

The Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

Thomas E. Gartner III, Kelly M. Hunter, Eleftherios Lambros, Alessandro Caruso, Marc Riera, Gregory R. Medders, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti, Francesco Paesani

Version 2 posted 25 February 2022

1,114

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Theoretical and Computational Chemistry

Working Paper

A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?

Yaoguang Zhai, Alessandro Caruso, Sigbjørn L. Bore, Zhishang Luo, Francesco Paesani

Version 5 posted 01 February 2023

1,516

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Theoretical and Computational Chemistry

Working Paper

Active Learning of Many-Body Configuration Space: Application to the Cs+–water MB-nrg Potential Energy Function as a Case Study

Yaoguang Zhai, Alessandro Caruso, Sicun Gao, Paesani Lab

Version 1 posted 23 January 2020

740

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6 results in Alessandro Caruso in Authors: Alessandro Caruso

Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials

Consistent Density Functional Theory-Based Description of Ion Hydration Through Density-Corrected Many-Body Representations

Data-Driven Many-Body Models Enable a Quantitative Description of Chloride Hydration from Clusters to Bulk

The Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?

Active Learning of Many-Body Configuration Space: Application to the Cs+–water MB-nrg Potential Energy Function as a Case Study

6 results in Authors: Alessandro Caruso