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Theoretical and Computational Chemistry

Working Paper

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

645

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1

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Theoretical and Computational Chemistry

Working Paper

Mesoscale Electrostatics Driving Particle Dynamics in Non-Homogeneous Dielectrics

Sigbjørn Løland Bore, Hima Bindu Kolli, Toshihiro Kawakatsu, Giuseppe Milano, Michele Cascella

Version 1 posted 30 November 2018

542

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Physical Chemistry

Working Paper

Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents?

Manuel Carrer, Tatjana Skrbic, Sigbjørn Løland Bore, Giuseppe Milano, Michele Cascella, Achille Giacometti

Version 2 posted 03 July 2020

483

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Theoretical and Computational Chemistry

Working Paper

Aggregation of Lipid A Variants: a Hybrid Particle-Field Model

Antonio De Nicola, Thereza A. Soares, Sigbjørn Løland Bore, G. J. Agur Sevink, Michele Cascella, Giuseppe Milano

Version 1 posted 29 November 2019

404

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Theoretical and Computational Chemistry

Working Paper

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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Materials Science

Working Paper

Dispersion State Phase Diagram of Citrate-Coated Metallic Nanoparticles in Saline Solutions

Sebastian Franco Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore, Mauro Moglianetti, Pier Paolo Pompa, Michele Cascella, Marco De Vivo

Version 1 posted 23 April 2020

489

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Biological and Medicinal Chemistry

Working Paper

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

Hima Bindu Kolli, Antonio de Nicola, Sigbjørn Løland Bore, Ken Schäfer, Gregor Diezemann, Jürgen Gauss, Toshihiro Kawakatsu, Zhong-Yuan Lu, You-Liang Zhu, Giuseppe Milano, Michele Cascella

Version 1 posted 14 May 2018

590

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1

Citations

Physical Chemistry

Working Paper

Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble

Samiran Sen, Morten Ledum, Sigbjørn Løland Bore, Michele Cascella

Version 1 posted 06 February 2023

164

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Theoretical and Computational Chemistry

Working Paper

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Yilong Zhou, Sigbjorn Bore, Andrea Tao, Francesco Paesani, Gaurav Arya

Version 1 posted 04 April 2023

253

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1

Citations

Physical Chemistry

Working Paper

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

120

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Refine Search

14 results in Sigbjorn Bore in Authors: Sigbjorn Bore

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

Mesoscale Electrostatics Driving Particle Dynamics in Non-Homogeneous Dielectrics

Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents?

Aggregation of Lipid A Variants: a Hybrid Particle-Field Model

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

Dispersion State Phase Diagram of Citrate-Coated Metallic Nanoparticles in Saline Solutions

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

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

14 results in Authors: Sigbjorn Bore