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?
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
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
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)
Conference Check-out
Turn in keys
Location: McDonnell Hall Lobby