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Sigbjørn L. Bore

4 results in Authors: Sigbjørn L. Bore

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

986

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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

642

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1

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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

1,392

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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

299

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