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Atomic-scale Predictive Simulation and Modeling (aPriSM) Lab
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Atomic-scale Predictive Simulation and Modeling (aPriSM) Lab
Based on PI Islam's research works,
Amsterdam Density Functional (ADF)
put together some nice videos and tutorials
1. eReaxFF tutorial for studying electron transport in a hydrocarbon molecule
Related publication: Islam et al.
eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations
2. Discharge voltage profile of Li-S batteries using ReaxFF simulations
Related publication: Islam et al.
ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials
3. Simulation of discharge process of Li-S batteries using ReaxFF simulations
Related publication: Islam et al.
ReaxFF Reactive Force Field Simulations on the Influence of Teflon on Electrolyte Decomposition during Li/SWCNT Anode Discharge in Lithium-Sulfur Batteries
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