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2019 MERCURY Conference for Undergraduate Computational Chemistry

MERCURY Consortium

Monday, July 15, 2019 at 2:00 PM - Friday, July 19, 2019 at 2:00 PM (EDT)

Registration Information

Registration Type Sales End Price Fee Quantity
MERCURY Member Registration
For students/staff/faculty from MERCURY member groups
Jul 5, 2019 Free $0.00
Speaker Registration Jul 5, 2019 Free $0.00
Student Registration
For students from non-member groups
Jul 5, 2019 $150.00 $0.00
Faculty/Staff/Postdoc Registration
For faculty/staff/postdocs from non-member groups.
Jul 5, 2019 $300.00 $0.00
Guest Registration
For guests needing meals and housing.
Jul 5, 2019 $200.00 $0.00

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Event Details

The 18th annual MERCURY Conference for Undergraduate Computational Chemistry will be held July 15-19, 2019 at Furman University in Greenville, SC. This conference begins with a pre-conference MolSSI Coding Workshop for up to 50 attendees on July 15-17, 2019, followed by the general conference July 17-19, 2019. The detailed program is available at the conference website.


Keynote Speakers:

Here are this year's confirmed speakers giving talks.

  • Mel Landon, Schrodinger

  • Anne McCoy, University of Washington

  • Frank Pickard, Pfizer

  • Adrian Roitberg, University of Florida

  • Sapna Sarupria, Clemson University

  • Nick Mayhall, Virginia Tech


MolSSI Coding Workshop:

Molecular Sciences Software Institute (MolSSI) is pleased to announce a workshop for MERCURY attendees to learn beginning programming skills. This two-session coding workshop will be held July 16 and 17, 2019 and be open to up to 50 attendants. During the workshop you will learn some basics of running and analyzing quantum mechanics simulations using PSI4 and Jupyter notebooks, how to use GitHub as a repository for software, how to make modifications to the Python scripts, and how to submit those changes for inclusion in the GitHub repository. Paul Nerenberg (California State University, Los Angeles), Olaseni Sode (California State University, Los Angeles), Lee-Ping Wang (UC Davis), and Theresa Windus (Iowa State University) will lead you through hands-on exercises and simulations. Each student is expected to bring their own laptop and to complete an interactive, free Python tutorial before the workshop. Specific reading, software download (+ installation) instructions, and instructional materials will be provided after registration. The tentative schedule is listed below.

Tuesday, July 16


  • 9:30-10 am: Installation help for those who need it
  • 10-10:15 am: Intro and welcome
  • 10:15-11 am: Lecture – Intro to quantum mechanics
  • 11:00-11:30 am: Getting familiar with Anaconda environment and using Jupyter notebooks
  • 11:30-12:00 pm: Activity – Molecular optimizations
  • 12:00-1:30 pm: LUNCH
  • 1:30-1:45 pm: Lecture – Introduction to potential energy surfaces and torsional barriers
  • 1:45-2:30 pm: Activity – Generating intramolecular torsional potential energy scans
  • 2:30-2:45 pm: Lecture – Intermolecular potential energy surface scans
  • 2:45-3:30 pm: Activity – Generating intermolecular potential energy scans
  • 3:30-3:45 pm: SNACK BREAK
  • 3:45-4:00 pm: Lecture – Link of quantum mechanics to spectral properties
  • 4:00-5:00 pm: Activity – Simulation of spectral properties
  • 6:00-7:30 pm: DINNER

 Wednesday, July 17

  • 9:00-9:30 am: Lecture – Basics of redox chemistry and states
  • 9:30-10:45 am: Activity – Redox simulations
  • 10:45-11:15 am: SNACK BREAK
  • 11:15 am-12:30 pm: Git and GitHub
  • 12:30-1:30 pm: LUNCH
  • 1:30-3:30 pm: Putting it together
  • 3:30-3:45 pm: Wrap-up


Undergraduate Poster Sessions:

Besides the six keynote talks that provide background and specific findings in specialized fields, the Undergraduate Poster Session has been an essential part of MERCURY conferences. This conference is an excellent forum for undergraduates to present their work and to learn from experts in the field, allowing them to put their own research into perspective. It is equally valuable as a networking event for faculty working with undergraduates. Undergraduates from all types of institutions are invited to come present their work. 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 to learn about working effectively with undergraduate research students.

Instructions about abstract submission and poster guidelines are posted here. Please note that student abstracts need to be submitted no later than Friday, July 5, 2019.


Conference Program:

Please check the conference program for other details. 


Registration Fee:

Conference fees for those coming from non-MERCURY groups are $300 for faculty, staff, postdocs, and graduate students, $200 for guests needing meals and housing, and $150 for undergraduate students. The fee covers registration, housing, and meals from

  • 4PM Monday, July 15 to 2PM Friday, July 19 for MolSSI conference attendees
  • 4PM Wednesday, July 17 to 2PM Friday, July 19 for everyone else

You can pay for it online using a credit card, or offline by sending a check or money order along with your registration confirmation to

MERCURY Consortium
Office of the VP of Academic Affairs and Provost

Furman University
3300 Poinsett Highway
Greenville, SC 29613

Conference registration closes Friday, July 5, 2019.  Other details about the conference and information can be found here:

Have questions about 2019 MERCURY Conference for Undergraduate Computational Chemistry? Contact MERCURY Consortium

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When & Where

Furman University
3300 Poinsett Highway
Greenville, SC 29613

Monday, July 15, 2019 at 2:00 PM - Friday, July 19, 2019 at 2:00 PM (EDT)

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MERCURY Consortium

MERCURY Consortium
Office of the VP of Academic Affairs and Provost
Furman University
3300 Poinsett Highway
Greenville, SC 29613

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