Tuesday, March 6, 2018
2:30PM - 3:06PM
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H43.00001: Break - Dillon Medal Talk
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Tuesday, March 6, 2018
3:06PM - 3:18PM
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H43.00002: “On the fly” QM/MM hybrid simulations of critical failure at the interface in CNT/polymer nanocomposites
Jacek Golebiowski, Peter Haynes, Arash Mostofi
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Tuesday, March 6, 2018
3:18PM - 3:30PM
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H43.00003: Prediction of ionic conductivity and transport mechanism in polymer electrolytes using molecular dynamics
jonathan mailoa, Nicola Molinari, Georgy Samsonidze, Boris Kozinsky
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Tuesday, March 6, 2018
3:30PM - 3:42PM
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H43.00004: Computational study of mechanical properties of poly-phenylene terephthalamide
Jie Yu, Giacomo Fiorin, Haowei Peng, Michael Klein, John Perdew
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Tuesday, March 6, 2018
3:42PM - 3:54PM
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H43.00005: Electronically excited states in π/π stacking compounds
Azusa Muraoka, Nao Fukabori, Tomomi Yasoshima
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Tuesday, March 6, 2018
3:54PM - 4:06PM
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H43.00006: Coarse-grained potentials to perform large scale molecular dynamics simulations of graphene sheets self-assembling at the water-oil interface
Vikram Reddy Ardham, Frédéric Leroy
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Tuesday, March 6, 2018
4:06PM - 4:18PM
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H43.00007: Hierarchical excluded volume screening in solutions of bottlebrush polymers
Jaroslaw Paturej, Torsten Kreer
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Tuesday, March 6, 2018
4:18PM - 4:30PM
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H43.00008: Routine million-particle simulations of epoxy curing with dissipative particle dynamics
Stephen Thomas, Eric Jankowski
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Tuesday, March 6, 2018
4:30PM - 4:42PM
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H43.00009: Structure and Mechanics of Semi-Crystalline Polymers: Coarse-Grained Simulation and Theory
Tyler Martin, Ronald Jones, Chad Snyder
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Tuesday, March 6, 2018
4:42PM - 4:54PM
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H43.00010: Comparing Dynamics via Atomistic Simulations with Mechanics via Experiment: Utility of the Time-Temperature Superposition Principle
Ketan Khare, Frederick Phelan Jr.
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Tuesday, March 6, 2018
4:54PM - 5:06PM
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H43.00011: Shock-induced Para-crystallinity in PPTA
Subodh Tiwari, Sungwook Hong, Paulo Branicio, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta
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