<p>DS is a ChemE sophomore who has completed the standard ChemE math/physics/chem prereqs but hasn't yet taken any actual ChemE classes. He was drawn to ChemE by passion for chemistry, physics and applied math, and seeing "beauty" in the core ChemE curriculum: especially transport phenomena (he started reading BSL Transport Phenomena on his own freshman year). However, although he still really wants to take the ChemE theory classes and pchem, he now believes he doesn't want to be a chemical engineer per se at the BS level, i.e. apply well-established models to solve problems in industry, but rather he would like a career in research, developing new models in fields that are not as well understood, such as neuroscience or potentially many other physical science or engineering disciplines.</p>
<p>He did do a couple quarters of materials science undergrad research that was mainly lab chemistry and didn't like that too much, but he loves reading ChemE research papers, especially about chemical process models, so he is thinking computational rather than experimental research would be his forte. Moreover, he would like to be a "subject matter" expert with modeling skills rather than a modeling expert with some subject matter knowledge (i.e. he wants to deeply understand what he is modeling).</p>
<p>At the graduate level, it seems like computational science or computational engineering might be a good match, or a computational focus in a science or engineering dept. My question, then is what would be the best undergrad preparation for something like a computational science PhD?</p>
<p>In particular, would it make more sense to pursue ChemE in undergrad, perhaps with an applied math minor and a couple of CS classes, vs a more computational undergrad degree with more math and programming? His school offers an "Applied and Computational Math Sciences" undergrad major, which is interdisciplinary between the Math, Applied Math, CS and Stats depts. It has an "engineering and physical science" option specifically designed to "model and analyze complex phenomena in physical science and engineering," which requires a few upper division courses in a single science or engineering dept. The curriculum for this degree option is as follows:</p>
<p>Calculus 1,2,3
CS 1 & 2 (Java programming)
Ordinary Differential Equations
Matrix Algebra with Applications
Applied Linear Algebra and Numerical Analysis
Discrete Modeling
Probability and Statistics
Continuous Modeling
Physics 1,2,3
Advanced Multivariable Calculus
Complex Analysis
Dynamic Systems and Chaos
Methods for Partial Differential Equations
two more upper division math/applied math/CS/stats courses, such as advanced scientific computing or numerical analysis
at least 11 credits of upper-division physical science or engineering in one dept</p>
<p>Now this appears to match DS's goals, <em>but</em> doesn't provide the discipline foundation that majoring in a science or engineering would, and presumably the extra math classes could be taken in an MS or PhD program? On the other hand, how relevant would the lab classes in a ChemE major be for a PhD program?</p>
<p>He could presumably apply a ChemE background with computational research any number of ways, such as modeling molecular dynamics, fluid dynamics, combustion, transport in cells (biomed), etc. But would a ChemE BS constrain his PhD options due to limited math and computing, or perhaps be too field-specific (for instance if he decided to pursue computational neuroscience)? Would PhD programs prefer to see a "standard" undergrad major rather than this unique ACMS interdisciplinary major?</p>
<p>He could go either way pretty easily at this juncture, as he has completed half of the ACMS degree requirements with his ChemE prereqs, plus a bunch of chemistry so he is ready to take upper division chem or ChemE classes for those 11 science/engr classes.</p>
<p>In short, would one of these undergrad paths provide the better preparation for a computational science PhD that focuses on creating new models in a leading edge science or engineering discipline, or are they both equally valid starting points for such a career? Does he need to decide roughly what his area of focus is now in order to make the right choice?</p>