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The tricky part to finding the formula for a good calcium battery (as it was with lithium batteries) is getting the interface reaction to work. It's a complicated reaction that is hard to understand or predict. Brute forcing different combinations will take a long time because the search space is large. There is some work going on to make better simulations to speed up the brute force search. I'm not a battery expert; this is all second-hand from a friend who is working on calcium battery simulation.

Maybe add AI into solving this problem. Battery technology and AI. Should attract the VC money.

And a blockchain to track usage. That will get the slightly behind the times VC funds :)

Sounds like a job for DE Shaw which has custom hardware for these molecular simulations.

What model do these simulations use? Biological simulations like those typically run on Anton(s) use fixed-charge, non-reactive force fields.

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