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Physical Chemistry

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Stephan Mohr

3 results in Authors: Stephan Mohr

Polymer Science

Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning

Didac Martí, Rémi Pétuya, Emanuele Bosoni, Anne-Claude Dublanchet, Stephan Mohr, Fabien Léonforte

Version 1 posted 13 December 2023

544

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Physical Chemistry

Molecular Simulations of Surfactant Adsorption on Iron Oxide from Hydrocarbon Solvents

Pablo Navarro Acero, Stephan Mohr, Marco Bernabei, Carlos Fernandez, Beatriz Dominguez, James Ewen

Version 1 posted 22 October 2021

515

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Theoretical and Computational Chemistry

Molecular dynamics simulations of asphaltene aggregation: machine learning identification of representative molecules, polydispersity and inhibitor performance

Rémi Pétuya, Abhishek Punase, Emanuele Bosoni, Antonio Pedro de Oliveira Filho, Juan Sarria, Nirumpam Purkayastha, Jonathan Wylde, Stephan Mohr

Version 1 posted 02 November 2022

284

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