I am there, I use Molecular Dynamic simulations to study proteins, and I have to agree with you.<p>Chemistry is an umbrella term---It is the summation of all the little tidbits of information we have accumulated about molecular systems. As such, the field has become unwieldy. The future lies in using computers to handle this vast amount of knowledge.<p>How will this work? I don&#x27;t know. But I can tell you it will not be simulations, which is what everyone in academia gravitates toward. Simulations involve lots of sampling, making the approach computational intractable. So I am naively optimistic about using machine learning. For example, I can imagine using recurrent neural networks to handle carbon chains and newly invented attention models for things like protein folding.<p>P.S. Now I just need to find a way to fund this research :-(