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Career Launch and Acceleration
| Facilitator: | Dr. Phushpalatha Murthy (Associate Dean of Graduate School, Michigan Technological Institute) |
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| Audience: | Graduate Students and Postdocs |
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| When: | Thursday May 5, 2016 from 2:00 - 5:00 |
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| How to Register: | Send an email with your name, affiliation, and standing to
flacs.chemistry@gmail.com
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Chiroptical Spectroscopy
Characterization of chiral molecules involves two parameters: determination
of absolute configuration (AC) and enantiomeric excess (EE). Both can be
easily accomplished using spectroscopy. This workshop will introduce
attendees to electronic and vibrational spectroscopy methods, including
optical rotation (OR), circular polarized luminescence (CPL), Raman optical
activity (ROA), electronic circular dichroism (ECD or just CD) and
specifically vibrational circular dichroism (VCD). The VCD method of AC
determination has been implemented by virtually all major pharmaceutical
companies as an alternative or supplement to determination of AC by X-ray
crystallography and will be discussed in detail with many examples. In additional,
the potential of VCD to determine EE and monitor the kinetics of reactions with chiral molecules
| Facilitator: | Dr. Rina Dukor and Dr. Larry Nafie of BioTools. |
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| Audience: | Graduate Students, Postdocs, and Faculty |
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| When: | Thursday May 5, 2016 from 2:00 - 5:00 |
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| How to Register: | Send an email with your name, affiliation, and standing (graduate student (what year?) or postdoc) to
flacs.chemistry@gmail.com
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QM + QMMM Methods
Quantum-chemical computations are an increasingly important component of modern chemical research.
This workshop will provide an overview of some of the underlying theory in modern electronic structure methods,
as well as an introduction to the practical application of such methods with computer software.
We will provide guidance for running an array of standard computations using the free and open-source Psi4 electronic structure software.
Advanced participants will have the opportunity to learn how to develop new methods as “plugins” to Psi4. Bring your Mac or Linux laptop.
No programming experience necessary.
Now, although electronic structure theory is very powerful, when complex environmental effects need to be included
high-level QM methods are severely limited. The hybrid quantum mechanical / molecular mechanical (QM/MM) framework
is the current tool of choice when accurate computations of macromolecular systems are essential. This workshop will also
introduce both the underlying theory that connects QM to MM and the practical application of these techniques.
The combination of Q-Chem (ab initio) and CHARMM (classical) software packages will be used via a modern Web-User
Interact (www.charmming.org). Several hands-on examples will be presented and ultimately the attendees will have the
opportunity to setup and carryout QM/MM calculations on a system of their choosing.
| Facilitators: | H. Lee Woodcock (USF), Eugene DePrince (FSU), and Lori Burns (GIT) |
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| Audience: | Undergraduates, Graduate Students, Postdocs, and Faculty |
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| When: | Thursday May 5, 2016 from 1:00 - 5:00 |
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| How to Register: | Send an email with your name, affiliation, and standing (graduate student (what year?) or postdoc) to
flacs.chemistry@gmail.com |
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How to Apply for Graduate School
This workshop is aimed at undergraduate students thinking about applying for graduate school and
wanting to know how it works, how to do it, what admission committees look for, etc...
| Facilitators: | Dr Ben Smith (UF) |
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| Audience: | Undergraduates students |
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| When: | Thursday May 5, 2016 from 3:30 - 5:00 |
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| How to Register: | Send an email with your name, affiliation, and standing (graduate student (what year?) or postdoc) to
flacs.chemistry@gmail.com |
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