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MERCURY conference 2016 — a great time for students to experience computational chemistry!

Alexandra Cassell presenting her poster at MERCURY 2016

Alexandra Cassell presenting her poster at MERCURY 2016

Last week  Alex, Justin and I traveled (along with the Navea group) to the MERCURY conference at Bucknell University,
a conference devoted to computational chemistry done by undergraduates.  Its a a great opportunity to see the wide diversity of work that qualifies as ‘computational chemistry’, everything from really detailed studies of small molecules using high-level theory, to simulations of huge biomolecules with an aim towards discovering better drugs.   Not to mention mechanistic organic chemistry, applied materials research, and lots more.     Six speakers from research institutions and companies also come in to talk about their careers and research programs.   Its a not-to-miss conference every year!

Justin Gerard presenting his poster at MERCURY 2016

Justin Gerard presenting his poster at MERCURY 2016

Justin and Alex both presented results from their summer research on excited-state time-dependensity density functional theory calculations of indole and tryptophan (respectively).  Both spoke for a quick 1-minute abstract talk in front of the entire audience of 100+ attendees and then presented their poster for an hour during the poster session, speaking with other students, faculty at undergraduate colleges, and the six invited speakers.    Justin and Alex have posted trip reports.    Here are the vital pictures  — they both did a great job!

 

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Charles presents at Skidmore Student/Faculty summer research meeting; thanks Charles!

Today a bunch of summer research students presented the results of their 5 weeks of work (for the first-half of the summer term).  Charles (math major, class of 2018) started off this summer working in our group; he has never taken a chemistry class and in just five weeks managed to learn how to run molecular dynamics simulations with AMBER (and updated and corrected some of our tutorials) and wrote some python and cpptraj scripts to aid in our analysis of melittin trajectories.  Charles has now had enough of pretending to be a chemist and is going back home for the summer.   The group will be building on your work next semester.  Thanks Charles!

 

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Charles Clayton and his poster — “Structural Changes of Tryptophan in a Melittin Molecular Dynamics Simulation”

 

Not many people have the guts to present a science poster wearing a baseball cap. At least it wasn't the Red Sox.

Action shot — Charles handles the crowd around his poster!

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