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Figure_Predicting_biopolymers

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

April 11, 2024 | Tags: Publication
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Enthalpy of dissociation

Enthalpy of dissociation of the mixed methane + propane sII hydrate along the three-phase equilibrium line

November 28, 2023 | Tags: Publication
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image_asphaltene_inhibitors_Nextmol

Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance

January 30, 2023 | Tags: Publication
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paper-06_figure

Assessing the effect of a liquid water layer on the adsorption of hydrate antiagglomerants using molecular simulations

September 1, 2022 | Tags: Publication
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paperOFM_graphicabstract

Molecular Simulations of Surfactant Adsorption on Iron Oxide from Hydrocarbon Solvents

December 17, 2021 | Tags: Publication
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stabilitymap_ppt_toc

Size dependence of the dissociation process of spherical hydrate particles via microsecond MD simulations

June 7, 2021 | Tags: Publication
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Nextmol_Lubricants_NEMD

Case study: Molecular Modeling of Lubricant Additives

February 19, 2021 | Tags: Case study
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Nextmol_molecular_modeling_anti-agglomerants

Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations

February 15, 2021 | Tags: Publication
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