Let's say you have a vision of a material with certain special types of properties. How would I know what the chemical structure and components of that material would be? Is there some way to at least estimate what the chemical structure would be, and its a matter of guess and check? Does it involve complex mathematics and special computation? I know the basics of intermolecular and intramolecular forces. I took general chemisty and a semester of organic chemistry. What other information would I have to learn to understand these concepts? I understand its something that I can't learn overnight, but a starting point would be great.