Indeed, in computational chemistry there seems to be two classes of theorists. The first group attempts to simulate a realistic system using high performance co

Indeed, in computational chemistry there seems to be two classes of theorists. The first group attempts to simulate a realistic system using high performance computing and achieve, typically, agreement with existing experiments. The second group tries to think through problems and hopes to provide explanations that don't need the brute force approach. The former model often lacks both creativity and quantitative accuracy. The latter might be impossible for some chaotic or complex systems. I have to agree that having "theorists" who simply are trying to compute some quantity to match existing data must do so very carefully.