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Post date: Mar 1, 2016 2:15:52 PM
Please come out and support your fellow COMP members at the first undergraduate session in COMP. We are following the lead of PHYS in setting up an undergraduate only session where members will give a short oral presentation covering a poster they will later give during the COMP poster session. The session was made possible through an ACS IPG award and will fund sessions this Spring, and Spring '17. Please contact Maria Nagan or Ed Sherer with any questions.
Highlights for COMP Undergraduate Students
Technical Program Highlights
Sunday
1:30-5:10 pm COMP Undergraduate Workshop, Room 26A
· Plenary Session 3-6 pm, Ballroom 20 A-C
· Plenary Session 3-6 pm, Ballroom 20 A-C
George Schatz, Northwestern University
Using Self-Assembly to make Functional Materials: Computational Perspectives
Sharon Hammes-Schiffer, U of Illinois-Urbana Champaign
Proton-coupled electron transfer in catalysis and energy conversion
David Baker, University of Washington
Post-Evolutionary Biology: Design of novel protein structures, functions and assemblies
William Jorgenson, Yale University
30 Years of Free Energy Perturbation Theory: From Free Energies of Hydration to Drug Discovery
Monday
Kavli Lectures 4-6:30 PM, Ballroom 20 A-C
Rommie Amaro, University of California, San Diego
Computing Cures: Enabling Chemical Discovery through the Lens of a Computational Microscope
Monday, March 14, 4:00 - 5:10 P.M.
Emily Carter, Princeton University
Quantum Solutions for a Sustainable Energy Future
Monday, March 14, 5:15- 6:30 P.M.
MPPG: Preparing for the Real World: Challenges Faced by Young Investigators 8:30 am -12 pm, Room 4
Tuesday
COMP Poster Session 6-8 pm, Hall E
ACS’s Anticipated Most Attended Talks
Computer simulation of solution-phase thermodynamics: Free energies of hydration, volumes of solution, heats of vaporization, and liquid densities (PHYS): Presented by William Jorgensen. Wed 10:15-10:45 am
Current Issues with Computer-Aided Lead Optimization (MPPG): Presented by William Jorgensen. Tues 10:30-11:10 am
Multiscale Estimation of Binding Kinetics Using Molecular Dynamics, Brownian Dynamics, and Milestonin (PHYS): Presented by Rommie Amaro. Sun 11-11:30 am
Dynamic criteria of mechanisms of organic reactions (COMP): Presented by Kendall Houk. Tues 1:30-2:00 pm
Constant pH simulations in biomolecular systems (PHYS): Presented by Adrian Roitberg. Sun 10:15-10:45 am
Enhanced Sampling methods in Drug Design (MPPG): Presented by Adrian Roitberg. Tues 10:30-11 am
Social Event Highlights
Sunday
Undergraduate Hospitality Center
8 AM to 5 PM, Marriott Marquis San Diego Marina, San Diego Ballroom B
Undergraduate Digital Café
8:00 AM to 5:00 PM, Marriott Marquis San Diego Marina, Carlsbad
Undergraduate Workshop: Making the Most of Your First National Meeting
9 to 9:45 AM, Marriott Marquis San Diego Marina, San Diego Ballroom B
Undergraduate Workshop: Graduate School Reality Check: Getting In! Part 1
10 to 11:15 AM, Marriott Marquis San Diego Marina, San Diego Ballroom A
Undergraduate Workshop: Graduate School Reality Check: You’re In—Now What? Part 2
11:15 AM to 12:30 PM, Marriott Marquis San Diego Marina, San Diego Ballroom A
Undergraduate Workshop: Chem Demo Exchange
11 AM to 12:30 PM, San Diego Convention Center, Sails Pavillon
Undergraduate Workshop: Effective Chemistry Demos for Community Outreach
2:45 to 4 PM, San Diego Convention Center, Sails Pavillon
Undergraduate Research Social
8:30 to 11 PM, San Diego Convention Center, Ballroom 20D
Monday
Undergraduate Hospitality Center
8 AM to 5 PM, Marriott Marquis San Diego Marina, San Diego Ballroom B
Undergraduate Workshop: Networking 101
9:45 AM to 11:00 AM, Colorado Convention Center, Room 601/603
Undergraduate Workshop: Chemists Celebrate Earth Day (cosponsored by Committee on Community Activities)
9:45 AM to 11:00 AM, San Diego Convention Center, Room 30C/D
Undergraduate Workshop: Speed Networking with Chemistry Professionals
3:45 PM to 5:15 PM, Marriott Marquis San Diego Marina, San Diego Ballroom B
Sci-Mix Interdivisional Poster Session & Mixer
(Drink ticket included with registration)
8:00 PM to 10:00 PM, San Diego Convention Center, Hall D/E
COMP Mentor Lunch (One academic, one from industry)– Day TBA
Look for a Poster sign-up outside the COMP sessions (first come first serve; lunch is paid by COMP)
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