[eshvk]

I went a Electrical Engineering program to doing Computer Science full time and I agree with the other poster who says that you should definitely apply for a Masters in C.S. Try to make your application at least thematically related to Chemistry. Once you get into a program, you generally have more latitude in deciding what courses you want to take. I knew a few people who used to work in computational chemistry/aeronautics and I am fairly sure they spend all their time in computer labs (as research assistants). The nature of a good masters program is that you will have tons of courses that can count towards your credits and if you are ready to work your ass off (100 hours a week average), you can come out with as good a C.S. background as anyone.