Probing the Effect of Aliphatic Ionic Liquids on Asphaltene Aggregation Using Classical Molecular Dynamics Simulations

por Aswath, Surabhi, Dey, Poulumi, Vatti, Anoop Kishore
Publicado 2023

Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide

por Habibi, Parsa, Vlugt, Thijs J. H., Dey, Poulumi, Moultos, Othonas A.
Publicado 2021

Asphaltene Aggregation in Aqueous Solution Using Different Water Models: A Classical Molecular Dynamics Study

por Vatti, Anoop Kishore, Caratsch, Andrina, Sarkar, Shuvadeep, Kundarapu, Laxman Kumar, Gadag, Shivaprasad, Nayak, Usha Yogendra, Dey, Poulumi
Publicado 2020

A New Force Field for OH(–) for Computing Thermodynamic and Transport Properties of H(2) and O(2) in Aqueous NaOH and KOH Solutions

por Habibi, Parsa, Rahbari, Ahmadreza, Blazquez, Samuel, Vega, Carlos, Dey, Poulumi, Vlugt, Thijs J. H., Moultos, Othonas A.
Publicado 2022

Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property

por Blazquez, Samuel, Abascal, Jose L. F., Lagerweij, Jelle, Habibi, Parsa, Dey, Poulumi, Vlugt, Thijs J. H., Moultos, Othonas A., Vega, Carlos
Publicado 2023