Course preparation for Computational chemistry

[just_starting_out]

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

 

 

[studiot]

Statistics and probability is the main area that stands out as missing from your list.

 

Intuitive Biostatistics

 

Harvey Motulsky

 

Oxford University Press

 

Provides a first class base to build on in this area.

 

Take a look at

 

The Chemistry Maths Book

 

Erich Steiner

 

Also Oxford University Press

 

This covers all the areas needed in undergraduate chemistry in a highly accessible format.

 

You want to extend beyond undergraduate level.

Chemistry these days is beginning to take advantage of group and symmetry theory and the more abstract aspects of university level alegebra.

[mississippichem]

If you have any interest in density functional theory, DFT (which you should), then take a functional analysis course. You could get by without it but you will be a cut above the rest if you choose to take it.

 

I would also encourage a good PDE course. Do you have any interest in relativistic quantum chemistry?

Edited October 6, 2013 by mississippichem

[just_starting_out]

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