Caleb Carlin - Investigation of Water on the Molecular Level

Over this summer I worked several tools to model and investigate water on the molecular level. The work involved setting up and running the Tinker and Gromacs molecular dynamics packages. Using the two packages, I tested 8 different water models in systems of various sizes and compositions to see which model most accurately represented the physical system being studied.

I also got a chance to learn how to use scripting languages to automate repetitive tasks and succeeded in installing an open source operating system from source. In all, the summer experience resulted in primary knowledge in the field of study and secondary experience working with the specialized tools used in that field.