Electrochemical Reaction

• Electrode: TBA
• SAC: TBA

Battery

• Battery: source code (download); (If use the code, please cite “The DFT-ReaxFF Hybrid Molecular Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at the Lithium-Metal Anode Surfaces”)
• Dendrite: TBA

Methods for Multiscale Simulation

• VASP-lg : souce code (download); force field (download); (If use the code or force field for publication, please cite “London Dispersion Corrections to Density Functional Theory for Transition Metals Based on Fitting to Experimental Temperature-Programmed Desorption of Benzene Monolayers”)

Bio Simulation

• Membrane: TBA

Force Field

• Pt : Force field (download) (If you use the force field for pulication, please cite “Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction”)
• Au : TBA
• Cu : TBA