LAMMPS Simulation Files Supporting the Study "Molecular Dynamics Study of Hydrogen Bonding in Neutral Alginate: Structural Insights and Solvent Uptake Effects"

Korotenko, VasiliiVasiliiKorotenko2025-06-182025-06-182025-06-18https://hdl.handle.net/11420/55618This dataset contains input files for the LAMMPS program, each configured with specific simulation settings. The files are numbered from 1 to 5, corresponding to sequential simulation steps.https://mit-license.org/Molecular DynamicsAlginateHydrogen BondingLAMMPSSolvent UptakeNatural Sciences and Mathematics::541: Physical; Theoretical::541.3: Physical ChemistryLAMMPS Simulation Files Supporting the Study "Molecular Dynamics Study of Hydrogen Bonding in Neutral Alginate: Structural Insights and Solvent Uptake Effects"Simulation Datahttps://doi.org/10.15480/882.1518210.15480/882.15182Smirnova, IrinaIrinaSmirnova