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Program 2014

13TH ANNUAL MERCURY CONFERENCE ON UNDERGRADUATE COMPUTATIONAL CHEMISTRY

July 24-26, 2014

BUCKNELL UNIVERSITY
Lewisburg, PA

Thursday, July 24

  • 2:00-5:00PM

    Check-in, registration

    Location: McDonnell Hall Lobby

  • 6:00-8:00PM

    Dinner (Picnic)

    Location: Behind McDonnell Hall (2nd floor of McDonnell Hall in case of rain)

  • 8:00PM-12:00AM

    Gathering at Uptown

    Location: Uptown (on campus, across from McDonnell Hall)

Friday, July 25

  • 7:00-8:30AM

    Breakfast

    Location: Bostwick Cafeteria (Elaine Langone Center)

  • 8:30-8:40AM

    Opening Remarks

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

Session I

  • 8:40-9:40AM

    Keynote Speaker: Edward Valeev

    Title: Predictive Theory of Electronic Structure: Are We There Yet?

    Suggested Reading: 1 2 3

    Moderator: Mauricio Cafiero

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 9:40-10:40AM

    Keynote Speaker: Christine Aikens

    Title: TD-DFT Studies of Nanoparticle Optical Properties

    Suggested Reading: 1 2

    Moderator: Carol Parish

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 10:40-11:00AM

    Break

Session II

  • 11:00-12:00PM

    Keynote Speaker: Geoffrey Hutchison

    Title: Computational Design of Organic Solar Cells: Genetic Algorithm-Driven Inverse Design

    Suggested Reading: 1

    Moderator: Kelly Anderson

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 12:00-1:00PM

    Lunch

    Bostwick Cafeteria (Elaine Langone Center)

  • 1:00-1:15PM

    Conference Group Photo

    Location: Biology Building/Rooke Chemistry steps

Session III

  • 1:30-3:00PM

    Poster session oral presentations

    Moderator: Billy Miller, III

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 3:00-4:15PM

    Poster Session I (For Last names beginning with A-L)

    Location: Terrace Room (Room 276 – Elaine Langone Center)

  • 4:15-5:30PM

    Poster Session II (For Last names beginning with M-Z)

    Location: Terrace Room (Room 276 – Elaine Langone Center)

  • 5:00-6:30PM

    Dinner

    Location: Bostwick Cafeteria (Elaine Langone Center)

  • 8:00-12:00AM

    Gathering at Uptown

    Location: Uptown (on campus, across from McDonnell Hall)

Saturday, July 26

Session IV

  • 7:00-9:00AM

    Breakfast

    Location: Bostwick Cafeteria (Elaine Langone Center)

  • 9:00-10:00AM

    Keynote Speaker: Anthony Nicholls

    Title: Lies, Damned Lies and Statistics in Molecular Modeling

    Suggested Reading: 1

    Moderator: Eric Patterson

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 10:00-11:00AM

    Keynote Speaker: Georgia McGaughey

    Title: Targeted versus Phenotypic Approaches in Drug Discovery

    Suggested Reading: 1 2

    Moderator: Marc Zimmer

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 11:00-11:20AM

    Break

Session V

  • 11:20-12:20PM

    Keynote Speaker: Rich Friesner

    Title: Computational Methods for the Prediction of Protein-Ligand Binding Affinity and Applications to Structure Based Drug Discovery

    Suggested Reading: 1

    Moderator: Maria Nagan

    Location: Bucknell Forum (Room 272 – Elaine Langone Center)

  • 12:20-1:00PM

    Lunch

    Location: Bostwick Cafeteria (Elaine Langone Center)

  • 1:30-2:30PM

    Conference Check-out

    Turn in keys

    Location: McDonnell Hall Lobby