Yu-Shan Lin
Tufts Chemistry


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Yu-Shan Lin
Department of Chemistry
Tufts University
62 Talbot Avenue Pearson 103-X
Medford, MA 02155

Email: yu-shan.lin@tufts.edu

Outreach: Fortran and Ar MD simulation

In this module students will learn basic programming skills while exploring kinetic molecular theory and molecular dynamics (MD) simulations. Students will create hypotheses about how changing the parameters in their programs will affect the simulation. The data produced from the simulations such as temperature, potential energy, and coordination, will be graphed and analyzed by the students and compared to their hypotheses.

MA State Standards addressed: 9-12.DTC.a.1, 9-12.DTC.b.1, 9-12.CT.c.6, 9-12.CT.e.1, 9-12.CT.e.2, 9-12.CT.d.1, 9-12.CT.d.2, 9-12.CT.d.3, 9-12.CT.d.5, 9-12.CT.d.6, 9-12.CT.d.8, 9-12.CT.d.9, HS-PS1-3, HS-PS1-5

Learning outcomes
MD intro (pptx)
Teacher's guide
Installation guide     Sample files and fortran codes
Student's guide

You can compile and execute your FORTRAN code online here.

We'd love to know about any questions, issues when implementing this module, and feedback you have! Please email your comments and questions to YSL.