just_starting_out

Thank you both for the reply. I really appreciate it. I will check out relativistic quantum chemistry.

Hi, Thanks in advance for answering this question: What are the courses I need to take at undergraduate level to be competitive for a PhD admission in computational chemistry? I know the chemistry courses I need to take. I'm curious about the computer science and math courses I need to take to supplement the application. So far, I have 2 years of calculus (taking calculus 4 this semester), I have 2 semesters of linear algebra, took ordinary differential equations and probability. Planning to take numerical analysis next semester. Question 1: Do I need partial differential equations? What other math courses should I take? Question 2: For computer science, I plan to take one course in C++ and one course in data structure and algorithm. Is it enough? If not, what other courses should I take? Thanks again for your help. Undergrad newbie