1. Data from "Chemical reactions in molten lithium carbonates and hydroxides with deep potential molecular dynamics" Author(s): Kussainova, Dina; Panagiotopoulos, Athanassios Type: Dataset Issue Date: 2025
2. Data and Codes for - "Top-Down Optimization of Aqueous Electrolyte Force Fields to Model Chemical Potentials and Solubilities" Author(s): Baron, Philippe; Panagiotopoulos, Athanassios Type: Dataset Issue Date: 2025
3. Data from "Deep Potential Molecular Dynamics Simulations of Low-Temperature Plasma-Surface Interactions" Author(s): Kounis-Melas, Andreas; Vella, Joseph; Panagiotopoulos, Athanassios; Graves, David Barry Type: Dataset Issue Date: 2024
4. Data from "Simulation of Lithium Hydroxide Decomposition using Deep Potential Molecular Dynamics" Author(s): Kussainova, Dina; Panagiotopoulos, Athanassios Type: Dataset Issue Date: 2024
5. LAMMPS Molecular Dynamics Simulation Files for PFAS Author(s): Lemay, Amélie Type: Dataset Issue Date: 2024
6. Chiral Tetramer Molecular Model Author(s): Petsev, Nikolai D.; Stillinger, Frank H.; Debenedetti, Pablo G. Type: Dataset Issue Date: 2021
7. Data from "Vapor-liquid equilibrium of water with the MB-pol many-body potential" Author(s): Muniz, Maria Carolina; Gartner III, Thomas E.; Riera, Marc; Knight, Christopher; Yue, Shuwen; Paesani, Francesco; Panagiotopoulos, Athanassios Z. Type: Dataset Issue Date: 2021
