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5 results in Authors: Sigbjörn L. Bore

Theoretical and Computational Chemistry

Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations

Sigbjørn L. Bore, Pablo M. Piaggi, Roberto Car, Francesco Paesani

Version 1 posted 29 April 2022

646

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1

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Theoretical and Computational Chemistry

Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application

Ethan F. Bull-Vulpe, Marc Riera, Sigbjørn L. Bore, Francesco Paesani

Version 1 posted 22 June 2022

304

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Theoretical and Computational Chemistry

Realistic phase diagram of water from "first principles" data-driven quantum simulations

Sigbjørn L. Bore, Francesco Paesani

Version 2 posted 15 May 2023

994

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Physical Chemistry

Pinpointing the Location of the Elusive Liquid-Liquid Critical Point in Water

Francesco Sciortino, Yaoguang Zhai, Sigbjørn L. Bore, Francesco Paesani

Version 1 posted 08 May 2024

148

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Theoretical and Computational Chemistry

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

1,400

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