3 ms·
10 years ago when I was still in academia, modelling more than 8 water molecules solvating an ion started to get computationally very expensive lol Depends how
by djtango 2y ago
10 years ago when I was still in academia, modelling more than 8 water molecules solvating an ion started to get computationally very expensive lol
Depends how accurate you want your model. Pie in the sky thinking, we need quantum computing before I can imagine these kinds of simulations making sense
- crackalamoo 2y agoCan machine learning accomplish the same? See e.g. Microsoft MatterSim https://www.microsoft.com/en-us/research/blog/mattersim-a-deep-learning-model-for-materials-under-real-world-conditions/ https://www.microsoft.com/en-us/research/blog/mattersim-a-de...
- _kidlike 2y agoisn't that what Nvidia Omniverse is?
- crackalamoo 2y agoYeah, that's the ambition. More generally, ML is good at approximating many NP-hard problems efficiently, so I wonder if it will be a more practical alternative to quantum computing for things like molecular simulation.