Wednesday, March 7, 2018
8:00AM - 8:12AM
|
|
K12.00001: Ab Initio Prediction of Metal Phosphide Anode Materials for Li and Beyond Li Batteries
Angela Harper, Kent Griffith, Matthew Evans, Andrew Morris
|
Wednesday, March 7, 2018
8:12AM - 8:24AM
|
|
K12.00002: Design of Porous Topological Semimetal Carbon for Li-ion Battery Anode
Qiang Sun
|
Wednesday, March 7, 2018
8:24AM - 8:36AM
|
|
K12.00003: Fast screening of solid-state lithium-ion conductors
Leonid Kahle, Aris Marcolongo, Nicola Marzari
|
Wednesday, March 7, 2018
8:36AM - 9:12AM
|
|
K12.00004: Disorder, Frustration, and Correlation in Polyborane Solid Electrolytes from First-principles Computations
Invited Speaker:
Joel Varley
|
Wednesday, March 7, 2018
9:12AM - 9:24AM
|
|
K12.00005: Intercalation of Lithium into Graphite: Unraveling Interfacial Effects Using First Principles Molecular Dynamics
Tuan Anh Pham, Amit Samanta, mitchell ong, Kyoung Kweon, Vincenzo Lordi, John Pask
|
Wednesday, March 7, 2018
9:24AM - 9:36AM
|
|
K12.00006: Superionic Diffusion Through Frustrated Energy Landscape
Davide Di Stefano, Anna Miglio, Koen Robeyns, Yaroslav Filinchuk, Marine Lechartier, Anatoliy Senyshyn, Hiroyuki Ishida, Stefan Spannenberger, Bernhard Roling, Denise Prutsch, Daniel Rettenwander, Martin Wilkening, Yuki Katoh, Geoffroy Hautier
|
Wednesday, March 7, 2018
9:36AM - 9:48AM
|
|
K12.00007: High-throughput Catalysts Screening of Layered Double Hydroxides for Oxygen Evolution and Reduction Reactions
Zhenghang Zhao, Ambarish Kulkarni, Michal Bajdich, Jens Norskov
|
Wednesday, March 7, 2018
9:48AM - 10:00AM
|
|
K12.00008: Boosting the Ionic Conductivity in Sodium-Rich Antiperovskites Using Cluster Ions
Hong Fang, Purusottam Jena
|
Wednesday, March 7, 2018
10:00AM - 10:12AM
|
|
K12.00009: Computational Design of Defect-engineered Ca(OH)2 Monolayer for CO2 Capture
Ongun Ozcelik, Kai Gong, Claire White
|
Wednesday, March 7, 2018
10:12AM - 10:24AM
|
|
K12.00010: Discovery of new 1D electrides by coupling materials database searches and first-principles analysis
Mina Yoon, Changwon Park, Sung Wng Kim, Jack Lasseter
|
Wednesday, March 7, 2018
10:24AM - 10:36AM
|
|
K12.00011: A First-Principles High-Throughput Search for Layered Sulfides for CO2 Reduction Photocatalysis
Elizabeth Peterson, Sebastian Reyes-Lillo, John Gregoire, Jeffrey Neaton
|
Wednesday, March 7, 2018
10:36AM - 10:48AM
|
|
K12.00012: Continuum Model of Gas Uptake for Inhomogeneous Fluids for High-Throughput Materials Discovery
Yungok Ihm, Valentino Cooper, Lukas Vlcek, Pieremanuele Canepa, Timo Thonhauser, Ji Hoon Shim, James Morris
|
Wednesday, March 7, 2018
10:48AM - 11:00AM
|
|
K12.00013: First-Principles investigation of Single Layer of Pt on Graphene
Ji Il Choi, Faisal Alamgir, Seung Soon Jang
|
