| Talk # |
Time |
Duration |
Speaker |
Title |
|---|
| Registration |
08:00 |
20 |
Shirley Wu - BI Patio or NE porch, Coffee |
| Session: Catalysis and Fuel Cells |
| Chairs: Andres Jaramillo-Botero and Mario Blanco |
| F01 |
08:45 |
20 |
Oxgaard, Jonas |
Overview of Catalysis Research at the MSC |
| F02 |
09:05 |
30 |
Nielsen, Smith |
Progress in Organometallic Catalysts for Functionalization of CH4 |
| F03 |
09:35 |
15 |
Ess, Daniel |
Description of CH activation processes |
| F04 |
09:50 |
15 |
Ahlquist, Marten |
Platinum Catalyzed C-H Activation in Strong Acid |
| F05 |
10:05 |
15 |
Gonzales, Jason |
Novel Paradigms for Functionalization of the Re-CH3 bond |
| F06 |
10:20 |
15 |
Benitez, Diego |
Selectivity on Ruthenium Catalyzed Olefin Metathesis |
| F07 |
10:35 |
15 |
Theofanis, Patrick |
Understanding Beta-Hydride Eliminations from Heteroatom Functional Groups |
| F08 |
10:50 |
3 |
Keith, Jason |
Pd-Mediated Activation of Molecular Oxygen: Pd(0) vs. Direct Insertion |
| F09 |
10:53 |
3 |
Cheng, Mu-Jeng |
Density Functional Theory Study of Vanadyl Pyrophosphate |
| F10 |
10:56 |
15 |
Mueller, Jonathan |
Nickel Particles as Catalysts in Hydrocarbon Chemistry |
| Break |
11:11 |
20 |
|
BI Patio |
| Session: Envir & Materials |
| G1 |
11:31 |
25 |
Diallo, Mamadou |
Overview of the MSC Program on the Cellular Uptake and Toxicity of Dendrimers |
| G2 |
11:56 |
3 |
Shah, Tapan |
Recovery of Perchlorate from Aqueous Solutions by Dendrimer Enhanced Crossflow Filtration |
| G3 |
11:59 |
3 |
Giri, Jyotsnendu |
Experimental studies of dendrimers applied to environmental problems |
| G4 |
12:02 |
15 |
Bryantsev, Slava |
Predicted Structures and Binding of Ligands to UO2+ |
| G5 |
12:17 |
3 |
Bryantsev, Slava |
Method for accurate estimation of solvation free energies of ions |
| Lunch |
12:20 |
60 |
Poster Viewing |
BI Patio |
| Session: Nano and Surface |
| Chairs: Jonas Oxgaard and Adri van Duin |
| G6 |
13:20 |
25 |
Tang, Yongchun |
Overview of activities in the Power, Energy, Environmental Center (PEER) |
| H1 |
13:45 |
25 |
Merinov, Boris |
Overview of Fuel Cell and Battery Research in the MSC |
| H2 |
14:10 |
15 |
Yao, Sha |
Non-Pt Metal Catalysts for Oxygen Reduction Reaction |
| H3 |
14:25 |
15 |
Yu, Ted |
Oxygen Reduction Reaction on Pt Alloy Fuel Cell Cathodes |
| H4 |
14:40 |
15 |
Han, Sang Soo |
Structural Models of CFx for Cathode of Battery and Reduction of Ethylene Carbonate for Formation of Solid-Electrolyte Interface: DFT vs. ReaxFF |
| H5 |
14:55 |
3 |
Yu, Ted |
Barriers for F migration in CFx |
| H6 |
14:58 |
15 |
Han, Sang Soo |
Hydrogen Storage in Metal Organic Frameworks and Covalent Organic Frameworks |
| H7 |
15:13 |
3 |
Mendoza-Cortés, José |
Ab-Initio Based Grand Canonical Monte-Carlo simulations of CH4 Uptake in Covalent Organic Frameworks (COF) |
| Break |
15:16 |
20 |
|
BI Patio |
| I1 |
15:36 |
15 |
Han, Si-Ping |
DNA Origami Nanoscaffold Directed Self-Assembly of Carbon Nanotube Devices |
| I2 |
15:51 |
15 |
Tahir-Kheli, Jamil |
Phonon Drag Thermopower in Si nanowires |
| I3 |
16:06 |
15 |
Matsuda, Yuki |
Improving Contact Resistance at the Nanotube-Cu Electrode Interface Using Molecular Anchors |
| I4 |
16:21 |
3 |
Kim, Hyungjun |
Estimation of Free Energy Barrier of Bistable (2)Rotaxane Toward Molecular Electronic Devices |
| I5 |
16:24 |
15 |
Kim, Hyungjun |
Negative Differential Resistance at SAM of Oligo (Phenylene Ethynylene) On Au (111) Surface |
| I6 |
16:39 |
15 |
Blanco, Mario |
Hybrid Bio-mimetic Silicon Nanowire Sensors: from the eNose to the Nanose |
| I7 |
16:54 |
3 |
Blanco, Mario |
Imido and bi-phenyl selectivity and binding energetics of Molecular Tweezers |
| I8 |
16:57 |
3 |
Zhang, Guoping |
First-principles simulation of the interaction between adamantane and an atomic force microscope tip |
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