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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

498

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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

498

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Theoretical and Computational Chemistry

Working Paper

HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter

Morten Ledum, Samiran Sen, Xinmeng Li, Manuel Carrer, Yu Feng, Michele Cascella, Sigbjørn Løland Bore

Version 1 posted 21 December 2021

230

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1

Citations

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

595

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1

Citations

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

410

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Physical Chemistry

Working Paper

Self-Assembly of α-Tocopherol Transfer Protein Nanoparticles – a Patchy-Protein Model

Raphael M. Peltzer, Hima Bindu Kolli, Achim Stocker, Michele Cascella

Version 1 posted 30 May 2018

464

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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

546

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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

177

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Theoretical and Computational Chemistry

Working Paper

Learning Force Field Parameters from Differentiable Particle-Field Molecular Dynamics

Manuel Carrer, Henrique Musseli Cezar, Sigbjørn Løland Bore, Morten Ledum, Michele Cascella

Version 3 posted 15 May 2024

286

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Organometallic Chemistry

Working Paper

Morphology of Lithium Halides in Tetrahydrofuran from Molecular Dynamics with Machine Learning Potentials

Marinella de Giovanetti, Sondre H. Hopen Eliasson, Sigbjørn Løland Bore, Odile Eisenstein, Michele Cascella

Version 1 posted 24 July 2024

73

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Refine Search

13 results in Michele CASCELLA in Authors: Michele CASCELLA

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

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

HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter

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

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

Self-Assembly of α-Tocopherol Transfer Protein Nanoparticles – a Patchy-Protein Model

Mesoscale Electrostatics Driving Particle Dynamics in Non-Homogeneous Dielectrics

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

Learning Force Field Parameters from Differentiable Particle-Field Molecular Dynamics

Morphology of Lithium Halides in Tetrahydrofuran from Molecular Dynamics with Machine Learning Potentials

13 results in Authors: Michele CASCELLA