Tuesday, March 15, 2016
2:30PM - 3:06PM
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H23.00001: First-principles data-driven discovery of transition metal oxides for artificial photosynthesis
Invited Speaker:
Qimin Yan
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Tuesday, March 15, 2016
3:06PM - 3:18PM
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H23.00002: Computational Nano-materials Design for Spinodal Nanotechnology as a New Class of Bottom-up Nanotechnology
Hiroshi Katayama-Yoshida, Tetsuya Fukushima, Kazunori Sato
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Tuesday, March 15, 2016
3:18PM - 3:30PM
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H23.00003: Simulation of Photo-isomerization of Functionalized Azobenzene Derivatives
Pedram Tavazohi, Zachary Herberger, James Lewis
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Tuesday, March 15, 2016
3:30PM - 3:42PM
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H23.00004: Computational Design of Metal--Organic Frameworks with High Methane Deliverable Capacity
Yi Bao, Richard Martin, Cory Simon, Maciej Haranczyk, Berend Smit, Michael Deem
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Tuesday, March 15, 2016
3:42PM - 4:18PM
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H23.00005: Computational design of materials for solar hydrogen generation
Invited Speaker:
Naoto Umezawa
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Tuesday, March 15, 2016
4:18PM - 4:30PM
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H23.00006: Understanding and controlling the water stability of MOF-74
Sebastian Zuluaga, Erika Fuentes, Kui Tan, Feng Xu, Jing Li, Yves Chabal, Timo Thonhauser
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Tuesday, March 15, 2016
4:30PM - 4:42PM
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H23.00007: High-throughput discovery of electrochemically stable photocatalysts for oxygen evolution.
Jie Yu, Qimin Yan, Wei Chen, Anubhav Jain, John Gregoire, Jeffrey Neaton, Kristin Persson
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Tuesday, March 15, 2016
4:42PM - 4:54PM
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H23.00008: Rational Co-Design of Polymer Dielectrics for Energy Storage
Arun Mannodi-Kanakkithodi, Huan Tran, Ghanshyam Pilania, Turab Lookman, Rampi Ramprasad
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Tuesday, March 15, 2016
4:54PM - 5:06PM
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H23.00009: \textbf{Simulated synthesis of lithium manganese oxide nanostructures and their characterisation.}
Phuti Ngoepe, Sylvia Ledwaba, Dean Sayle
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Tuesday, March 15, 2016
5:06PM - 5:18PM
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H23.00010: Study of Hydrogen Adsorption in Titanium, Nickel and Pd Cluster Supported on Graphene Monovacancies
Carlos Manuel Ramos Castillo, Romeo De Coss Gómez, Jose Ulises Reveles
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Tuesday, March 15, 2016
5:18PM - 5:30PM
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H23.00011: Using Cluster Expansions to Model Diffusion in Pt-Ni Nanoparticles
Thomas Nilson, Tim Mueller, Liang Cao
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