I am not convinced that when the standards say 'computational model' they mean a computer simulation. I believe they intend students to use mathematical formulas to show the relationships. If you look at
https://betterlesson.com/browse/common_core/standard/2284/ngss-hs-ps3-1-create-a-computational-model-to-calculate-the-change-in-the-energy-of-one-component-in-a-system-when-the-change-in?from=core_child
you will see most of the lessons are hands on activites. (I hope the link works for you)
If you really want to do this online, the place to go is https://phet.colorado.ed, specifically the Energy Skate Park.
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