The First Annual

Midwest Undergraduate

Computational Chemistry

Symposium

Friday 15 August 2003

8:30 Meet in Hotel Lobby, take train to Evanston

10:00 Arrive at Northwestern Campus, take a little tour

Start at room 4015, Nanofabrication Facility

11:00 Professor Mark Ratner, Northwestern University

12:00 Lunch

1:00 Matt Zwier, Hope College

Hybrid molecular dynamics-quantum mechanics simulations of solvation dynamics

1:30 Kohen group introduction, Carleton College

Can a computational chemist help curb global warming?: Modeling the use of molecular sieves to isolate carbon dioxide

2:00 Break

2:15 Eric Feisee, Carleton College

Modeling the adsorption of carbon MONOXIDE on zeolites

2:30 Greg Haman, Carleton College

Looking for carbon dioxide favorite spots within silicon and oxygen only zeolites

2:45 Meghan Thurlow, Carleton College

Do sodium cations help or hinder the adsorption of carbon dioxide on zeolites?

3:00 Erin Petersen, Macalaster College

Conformation in ozonolysis

3:30 Break

3:45 Lukas Valin, Macalaster College

Finding possible mechanistic pathways for dimethyl and methyl/vinyl substituted carbonyl oxides

4:15 Elijah Scheele, Hope College

Using parallel computing to find potential energy surfaces

5:00 Snack in Evanston and then L back to Hotel

8:00 Group Dinner – Meet in lobby and walk to Maggiano’s

Saturday 16 August 2003

8:30 Good morning! Help yourself to continental breakfast

8:45 Brent Krueger, Hope College

Modeling resonance energy transfer without a net – relieving the dipole approximation

9:30 Daniela Kohen, Carleton College

Mixing apples and oranges: a model study on non-adiabatic dynamics

10:15 Keith Kuwata, Macalaster College

Experimental and computational studies of stratospheric ozone depletion

11:00 Student Free Time, Faculty Work Time

6:00 Group Dinner – Meet at Hotel, walk to or get delivery from Giordano’s