Molecular Modeling and Simulations

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The discussion centers on a junior in chemical engineering seeking guidance on pursuing graduate studies focused on the materials aspect of renewable energy. The individual expresses a preference for theoretical work over hands-on lab experience and shows interest in modeling, particularly after enjoying previous projects in AutoCAD. Participants suggest starting with a Google search for molecular modeling software and recommend exploring discrete element methods (DEM) as a foundational concept for understanding molecular modeling and simulations. They also encourage sharing tutorials or resources to aid in learning.
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Hi all,

I am currently a junior in chemical engineering and want to go to graduate school for it. I am extremely interested in the materials side of renewable energy. To make a long story short, I don't enjoy being in the lab much but really do enjoy thinking about it, researching, and planning out experiments. I'm thinking I might enjoy modeling (I've done a few projects in autocad and enjoyed them). What programs are common for molecular modeling and simulations? I have no idea where to start, so if you also know of any tutorials or explanations (even wiki) that would help, please do share.

Thanks.
 
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you start by googling: molecular modeling software
 
Look into discrete element methods (DEM). That should give you an idea of how molecular modeling can be done.
 

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