At the upper bound: In molecular dynamics, which is used extensively in modern day neuroscience to understand the function of ion channels and GPCRs, a single H100 can model 70ns/day of compute for 1M atoms. There are 8.64e+13 nanoseconds per day. There are ~10^26 atoms in a human brain. Therefore, an upper limit back of envelope is you need fewer than 10e+26 atoms / 10e+9 atoms * 8.64e+13 ns / 70 ns = 1.23e+29 H100 GPUs.
Calculating the lower bound is more difficult, but let’s start by saying you can get away with a fp16 for each synapse. Storing the weights of that model for 100 trillion synapses is 200 Terabytes, and if you figure weight size * 4 or so to do anything useful then this is in spitting distance. Note that this example lower bound is massively less complex than the Neuron model I suggested, as the entire field of neuromodulators, homeostatic mechanisms, glia, and more are thrown out, which are all important for modeling how the brain works under certain computational regimes.