Molecular Education and Research Consortium
in Undergraduate computational chemistRY
20 - 22 July 2017
/
Furman University
/
Greenville, SC
Registration is closed
Six Keynote Lectures
Meet Speakers
Undergraduate Poster Presentations
Abstract Submission
MolSSI Coding Workshop
Workshop Details
Social and Networking Events
Conference Program

About the conference

Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY) is an NSF-funded consortium composed of 27 computational chemistry faculty from 25 primarily undergraduate institutions (PUIs) across the US. Aside from providing shared computational resources to these institutions, it promotes undergraduate research through the annual MERCURY conference. This is the 16th annual MERCURY conference and the first one held at Furman University in Greenville, SC. The last five were hosted at Bucknell University in Lewisburg, PA and the first ten were at Hamilton College in Clinton, NY.  

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Conference format

Mainstays of the conference include six speakers who present excellent talks that provide background and specific findings in their respective fields, plus an undergraduate poster session and evening social networking events. This year includes a post-conference MolSSI Coding Workshop on Saturday, July 22nd and Sunday July 23rd. This conference is an excellent forum for undergraduates from all types of institutions to present their work and to learn from experts in the field. It is equally valuable as a networking event for faculty working with undergraduates. Students who have graduated from college and have not begun their graduate work are also invited to present. Graduate students and postdoctoral associates may attend and learn how to work effectively with undergraduate research students.

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Registration and Abstract Submission

Registration information will be provided soon and it will remain open until July 8, 2017.

Students must submit abstracts by July 7, 2017. Abstracts will be published in a booklet that will be available to all conference attendants. Abstract submissions guidelines are also described.

 

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Speakers

Program

The conference starts with check-ins and a picnic on Thursday, July 20th and runs through Saturday, July 22nd for all attendants.

A MolSSI Coding Workshop follows on the afternoon of Saturday, July 22nd and morning of Sunday July 23rd
Day 1
20 Jul 2017
Day 2
21 Jul 2017
Day 3
22 Jul 2017
Day 4
23 Jul 2017

General Check-in and Registration

Conference attendants can check in at North Village Apartments upon arrival. Everyone will be provided with a name badge, campus map, room key, meal card, and conference booklet.

Picnic

Outdoor picnic behind the Trone Center along the Swan Lake

Gathering at The Paddock

Social gathering at The Paddock in Trone Center. All conference attendants are welcome. Snacks and drinks will be provided.

Opening Remarks

Opening remarks by Dr. George C. Shields, the director and founding member of the MERCURY consortium.

Keynote Talk I

Quantum Mechanics Basics and Applications in Developing Heavy Element Extractants    
Theresa Windus

Keynote Talk II

Computational Design of Energy Relevant Materials: From Electrons to New Technologies      
Valentino Cooper
10:40-11:00

Coffee/Snack Break

Keynote Talk III

Chemistry Under Pressure
Eva Zurek
12:00 - 13:-00

LUNCH BREAK

Students’ 2-minute Talks

Students presenting posters will give a brief oral presentation of their work from before the poster sessions begin  

Poster Session I (A-N)

Students are expected to stand by their posters during their assigned session and visit others posters in their free session

Poster Session II (O-Z)

Students are expected to stand by their posters during their assigned session and visit others posters in their free session

GATHERING AT THE PADDOCK

Social gathering at The Paddock in Trone Center. All conference attendants are welcome. Snacks and drinks will be provided.          

Keynote Talk IV

Modeling Complex Materials: From Energy Storage to Catalysis to Atmospheric Chemistry
Revati Kumar

Keynote Talk V

Path Integrals for Nonadiabatic Processes: Quantum Dynamics from Classical Trajectories  
Nandini Ananth
11:00-11:20

Coffee/Snack Break

Keynote Talk VI

Structure-Based Design in Drug Discovery and Process Chemistry
Katrina Lexa
12:20 - 13:30

LUNCH BREAK

General Conference Checkout

This concludes the conference for everyone who is not attending the MolSSI workshop. Please return your keys and meal cards before leaving the conference. Have a safe trip home!
15:45 - 16:15

Coffee/Snack Break

Dinner

Attendants are responsible for their own dinner on campus at the Dining Hall or somewhere off-campus. We encourage everyone to explore the options in downtown Greenville about 15 minutes drive from campus.
07:00 - 08:30

MolSSI Breakfast

09:45-10:15

Coffee/Snack Break

MolSSI Workshop Attendants’ Checkout

 Please return your keys and meal cards before leaving the conference. Have a safe trip home!

Registration

Sponsors

We thank the National Science Foundation (NSF) for funding the shared HPC resources via its Major Research Instrumentation (MRI) grants CHE-0116435, CHE-0521063, CHE-0849677, CHE-1229354, CHE-1662030 since 2001.

We also thank Furman University for generously supporting the latest conference and keeping it affordable. Bucknell University and Hamilton College had previously hosted and supported the conference.

The Molecular Sciences Software Institute (MolSSI) receives funding from NSF to foster cooperation amongst computational molecular scientists and accelerate the translation of basic science into new technologies essential to the vitality of the economy and environment. We thank MolSSI for organizing an exciting workshop.