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Molecular Dynamics simulations of track formation at different ensembles

Universidade Estadual de Campinas (UNICAMP); Universidade Estadual Paulista (Unesp) (2013-01-01)

A series of Molecular Dynamics simulations of thermal spikes has been run in zircon. For two different ensembles: microcanonical one and a combination of microcanonical one acting on the simulation core with Langevin one ...

Molecular Dynamics simulations of track formation at different ensembles

Universidade Estadual de Campinas (UNICAMP); Universidade Estadual Paulista (Unesp) (2013-01-01)

Membrane Based Water Treatment: Insight from Molecular Dynamics Simulations

Unknown author (Taylor & Francis, 2022)

The global demand for clean and potable water continuously increased due to expanding population and pollution. Water contamination by anionic compounds, heavy metals, and other pollutants is growing globally and needs to ...

Molecular Dynamics simulations of track formation at different ensembles

Moreira, Pedro A.F.P.; Guedes, Sandro; Tello Saenz, Carlos; Hadler, Julio C. (2014)

Computational study of FaEXPA1, a strawberry alpha expansin protein, through molecular modeling and molecular dynamics simulation studies

Valenzuela-Riffo F.; Ramos P.; Morales-Quintana L. (Elsevier Ltd, 2018)

Synthesis, characterization and molecular dynamics simulation of dendronized poly(3,5-diphthalimidoalkylphenyl methacrylate)s

Alvarado N.; Alegría L.; Sandoval C.; Gargallo L.; Leiva A.; Radic D. (Instytut Chemii Przemyslowej, 2016)

Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

Parra J.G.; Domínguez H.; Aray Y.; Iza P.; Zarate X.; Schott E. (Elsevier B.V., 2019)

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Molecular Dynamics simulations of track formation at different ensembles

Molecular Dynamics simulations of track formation at different ensembles

Membrane Based Water Treatment: Insight from Molecular Dynamics Simulations

Molecular Dynamics simulations of track formation at different ensembles

Computational study of FaEXPA1, a strawberry alpha expansin protein, through molecular modeling and molecular dynamics simulation studies

Synthesis, characterization and molecular dynamics simulation of dendronized poly(3,5-diphthalimidoalkylphenyl methacrylate)s

Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations

On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations

Molecular Dynamics Simulations of Peptide Inhibitors Complexed With Trypanosoma cruzi Trypanothione Reductase

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Molecular Dynamics simulations of track formation at different ensembles

Molecular Dynamics simulations of track formation at different ensembles

Membrane Based Water Treatment: Insight from Molecular Dynamics Simulations

Molecular Dynamics simulations of track formation at different ensembles

Computational study of FaEXPA1, a strawberry alpha expansin protein, through molecular modeling and molecular dynamics simulation studies

Synthesis, characterization and molecular dynamics simulation of dendronized poly(3,5-diphthalimidoalkylphenyl methacrylate)s

Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations

On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations

Molecular Dynamics Simulations of Peptide Inhibitors Complexed With Trypanosoma cruzi Trypanothione Reductase