Program

The most up-to-date conference program is provided below. A complete program PDF is available for download using the link to the left. An updated list of posters is also available for download.

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Last updated on August 26, 2016

Download a PDF of the conference program and abstracts.

3:00 PM - 6:30 PM Registration Desk Hours
Plenary Session Kane 210 Session Chair: Dupuis, M
4:30 PM - 5:00 PM Welcome & Opening Remarks
5:00 PM - 5:40 PM Carter, E
5:40 PM - 6:20 PM Baker, D
6:30 PM - 8:30 PM Welcome Reception Burke Museum
Morning Plenary Session GUG 220 Session Chair: Gale, J
8:20 AM - 9:00 AM Neurock, M
9:00 AM - 9:40 AM Fichthorn, K
9:40 AM - 10:20 AM Hammes-Schiffer, S
10:20 AM - 10:50 AM Coffee Break
Section A1 Cat BAG 154 Session Chair: Greeley, J Section B1 Heavy Elem. & Magn. CHB 102 Session Chair: Broer, R Section C1 Materials - A JHN 075 Session Chair: Canepa, P Section D1 Mol. & Bio. Cat. BAG 260 Session Chair: Wei, D
10:50 AM - 11:20 AM Sauer, J Saue, T Doublet, M-L Raugei, S
11:20 AM - 11:50 AM Sprik, M Liu, W Banerjee, S Filippi, C
11:50 AM - 12:10 PM Wang, Z Maurice, R Hratchian, H Johnson, Q
12:10 PM - 1:30 PM Lunch
1:30 PM - 3:00 PM Poster Session 1 HUB South Ballroom
Section A2 Mat. & Cat. BAG 154 Session Chair: Deskins, A Section B2 Methods CHB 102 Session Chair: Johnson, E Section C2 Materials - B JHN 075 Session Chair: Doublet, M-L Section D2 Methods BAG 260 Session Chair: Banerjee, S
3:15 PM - 3:45 PM Greeley, J Pernal, K Curtiss, L Klamt, A
3:45 PM - 4:15 PM Rehr, J Ayers, P Gagliardi, L Goumans, F
4:15 PM - 4:35 PM Costanzo, F Schild, A Garm Pedersen, T Hu, Z
4:35 PM - 4:55 PM Wang, J Scalmani, G Vargas, E Vlaisavljevich, B
4:55 PM - 5:15 PM Coffee Break
Section A3 Cond. Phase BAG 154 Session Chair: Miller, T Section B3 Methods CHB 102 Session Chair: Caricato, M Section C3 Materials - C JHN 075 Session Chair: Masiello, D Section D3 Mat. & Cat. BAG 260 Session Chair: Gagliardi, L
5:15 PM - 5:45 PM Gao, Y Krylov, A Paci, I Zurek, E
5:45 PM - 6:15 PM Baer, M Ehara, M Johnson, D Broer, R
6:15 PM - 6:35 PM Ensing, B Chen, F Moskaleva, L Rahm, M
Morning Plenary Session GUG 220 Session Chair: Fichthorn, K
8:20 AM - 9:00 AM Voth, G
9:00 AM - 9:40 AM Bredas, J-L
9:40 AM - 10:20 AM Scuseria, G
10:20 AM - 10:50 AM Coffee Break
Section A4 Excited States JHN 075 Session Chair: Bloino, J Section B4 Cond. Phase BAG 260 Session Chair: Gao, Y Section C4 Methods BAG 154 Session Chair: Adamo, C
10:50 AM - 11:20 AM Li, X Marzari, N Miller, T
11:20 AM - 11:50 AM Grimme, S Isborn, C Frisch, M
11:50 AM - 12:10 PM Parkhill, J Morales, J Wang, L-P
12:10 PM - 1:30 PM Lunch
1:30 PM - 3:00 PM Poster Session 2 HUB South Ballroom
Section A5 Methods JHN 075 Session Chair: Rhee, Y-M Section B5 Mesoscale - 1 BAG 260 Session Chair: Maibaum, L Section C5 Davidson's Symp. BAG 154 Session Chair: Clark, A
3:15 PM - 3:45 PM Blumberger, J Besley, E Martin, R
3:45 PM - 4:15 PM Schlegel, B Sushko, M Staroverov, V
4:15 PM - 4:35 PM Chen, X Yimer, Y --
4:15 PM - 4:45 PM -- -- Cave, R
4:35 PM - 4:55 PM Sun, X Andersen, A --
4:55 PM - 5:15 PM Coffee Break
Section A6 Excited States JHN 075 Session Chair: Hachmann, J Section B6 Cond. Phase BAG 260 Session Chair: Blumberger, J Section C6 Davidson's Symp. BAG 154 Session Chair: Chen, F
5:15 PM - 5:45 PM Jacquemin, D Roy, P-N Johnson, E
5:45 PM - 6:15 PM Adamo, C Markland, T Borden, W
6:15 PM - 6:35 PM Kowalczyk, T -- --
6:15 PM - 6:45 PM -- Nakai, H Izmaylov, A
Morning Plenary Session GUG 220 Session Chair: Dunning, T
8:20 AM - 9:00 AM Harrison, R
9:00 AM - 9:40 AM Aspuru-Guzik, A
9:40 AM - 10:20 AM Neese, F
10:20 AM - 10:50 AM Coffee Break
Section A7 Methods BAG 154 Session Chair: Filippi, C Section B7 Methods JHN 075 Session Chair: Neese, F Section C7 Mat. Discovery BAG 260 Session Chair: Aspuru-Guzik, A Section D7 Methods CHB 102 Session Chair: Kowalski, K
10:50 AM - 11:20 AM Alavi, A Lindh, R Canepa, P Yanai, T
11:20 AM - 11:50 AM Legeza, H Valeev, E Hachmann, J Piecuch, P
11:50 AM - 12:10 PM DePrince, E Caricato, M Stella, M Chakraborty, A
12:10 PM - 1:30 PM Lunch
1:30 PM - 3:00 PM Poster Session 3 HUB South Ballroom
Morning Plenary Session GUG 220 Session Chair: Rosso, K
8:20 AM - 9:00 AM Galli, G
9:00 AM - 9:40 AM Mennucci, B
9:40 AM - 10:20 AM Siegbahn, P
10:20 AM - 10:50 AM Coffee Break
Section A8 Cat. BAG 154 Session Chair: Hermansson, K Section B8 Methods JHN 075 Session Chair: Autschbach, J Section C8 Mol. & Bio. Cat. BAG 260 Session Chair: Gao, J Section D8 Cond. Phase CHB 102 Session Chair: Besley, E
10:50 AM - 11:20 AM Mavrikakis, M Truhlar, D Eisenstein, O Clark, A
11:20 AM - 11:50 AM Aikens, C Head-Gordon, M Batista, V Kuo, J-L
11:50 AM - 12:10 PM Meng, L Egidi, F Ginovska, B Aviyente, V
12:10 PM - 2:00 PM Lunch
Section A9 Cat. & Mat. BAG 154 Session Chair: Curtiss, L Section B9 Gas Phase JHN 075 Session Chair: Dawes, R Section C9 Mol. & Bio. Cat. BAG 260 Session Chair: Raugei, S Section D9 Mol. Prop., Magn. & Heavy Elem. CHB 102 Session Chair: Saue, T
2:00 PM - 2:30 PM Hermansson, K Xu, X Gao, J Guihery, N
2:30 PM - 3:00 PM Deskins, A McCoy, A Mandadapu, K Autschbach, J
3:00 PM - 3:20 PM Zheng, S Irikura, K Yu, J-S Boilleau, C
3:20 PM - 3:40 PM Tyminska, N Landera, A Pervane, C Fitzsimmons, A
3:40 PM - 4:10 PM Coffee Break
Section A10 Bio. & Cond. Phase BAG 154 Session Chair: Mandadapu, K Section B10 Methods JHN 075 Session Chair: Mennucci, B Section C10 Mol. & Bio. Cat. BAG 260 Session Chair: Batista, V Section D10 Heavy Elem. & Magn. CHB 102 Session Chair: Guihery, N
4:10 PM - 4:40 PM Maibaum, L Gordon, M Wei, D Peterson, K
4:40 PM - 5:00 PM Montoya, A -- -- --
4:40 PM - 5:10 PM -- Neuhauser, D Rhee, Y-M Shiozaki, T
6:30 PM - 9:00 PM Banquet HUB South Ballroom
Morning Plenary Session GUG 220 Session Chair: Gordon, M
8:20 AM - 9:00 AM Yang, W
9:00 AM - 9:40 AM Rosso, K
9:40 AM - 10:20 AM Gale, J
10:20 AM - 10:50 AM Coffee Break
Section A11 Excited States BAG 154 Session Chair: Rega, N Section B11 Spectroscopy JHN 075 Session Chair: Gu, F.L. Section C11 Methods BAG 260 Session Chair: Kim, K. S. Section D11 Methods CHB 102 Session Chair: Soini, T
10:50 AM - 11:20 AM Martinez, T Bloino, J Pittner, J Kowalski, K
11:20 AM - 11:50 AM Govind, N Masiello, D Chen, G-H Gomperts, R
11:50 AM - 12:10 PM Josefsson, I Goldzak, T Anantram, M Scherpelz, P
12:10 PM - 1:30 PM Lunch
Section A12 Excited States BAG 154 Session Chair: Li, X Section B12 Methods JHN 075 Session Chair: Govind, N Section C12 Materials - E BAG 260 Session Chair: Dupuis, M Section D12 Gas Phase CHB 102 Session Chair: McCoy, A
1:30 PM - 2:00 PM Rega, N Soini, T Ramakrishnan, R Dunning, T
2:00 PM - 2:20 PM Petrone, A Gu, F.L. Yang, L-M Wong, M-W
2:20 PM - 2:40 PM -- Flores-Moreno, R -- --
2:20 PM - 2:50 PM Kim, W.Y -- Kim, K.S Dawes, R
2:50 PM - 3:00 PM Closing: Session Chair Closing: Session Chair Closing: Session Chair Closing: Session Chair