It's a huge, diverse field so I wouldn't be able to do it justice in a comment. I suggest looking at some papers from http://acadia.org/ http://acadia.org/, and

It's a huge, diverse field so I wouldn't be able to do it justice in a comment. I suggest looking at some papers from http://acadia.org/ http://acadia.org/, and http://www.ibpsa.org/ http://www.ibpsa.org/. The latter being an example of a more specific subset of computational/architecture work (building performance simulation).