The Research Alliance in Math and Science (RAMS) Program is a collaborative research experience between Department of Energy, national laboratories and universitiesdesigned to provide students (underrepresented minorities) with an opportunity to develop research in Science, Mathematics, Engineering, and Technology (SMET).

The program is sponsored by the Mathematical, Information, and Computational Sciences Division (MICS); Office of Advanced Scientific Computing Research and U.S. Department of Energy. This research is conducted at Oak Ridge National Laboratory (ORNL), the Department of Energy's (DOE) largest science laboratory, and DOE's largest multi-purpose scientific lab.

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This site contains summary of a research done on molecular dynamics simulations of CH₃OH (Methanol) molecule in a single-walled Carbon Nanotubes (SWNTs).  The molecular-mechanics calculations were performed with the Tinker and VMD programs employing the MM3 force field. The scope of this research is to perform a molecular and stochastic dynamics computation on molecules, with the desired temperature, pressure and solvent,  to analyze the chemical effects. The research also uses specific thermodynamic ensembles with trajectories that are propagated using a velocity integration method, implementing desired number of dynamic steps and time intervals for different environmental conditions.

                            [Abstract]                  [Poster]