2016 Annual Meeting
SCHEDULE
Click on the titles to view the PDF file of the presentations
Thursday, May 12, 2016
Breakfast and Registration [8:00am – 8:30am]
Session 1
[8:30am-8:40am] John Perdew, Opening
[8:40am-9:00am] Gustavo Scuseria, Thrust I leader, Goals, Achievements, and Future Plans of Thrust I: Theory
[9:00am-9:10am] John Perdew, SCAN: An Accurate New Density Functional for the Materials Genome Initiative
[9:10am-9:20am] Du Zhang, Excitation Energies and Ionization Potentials from the Particle-Particle Random Phase Approximation
[9:20am-9:30am] Alejandro Garza, Robust Electronic Structure Methods Based on Coupled Cluster and Density Functional Theories
[9:30am-9:50am] Mikko Haataja, Overview of Multiscale Modeling of Layered Materials: Past, Present, and Future
[9:50am-10:00am] David Srolovitz, Thrust II leader, 2H/1T Edges and Interfaces in MoS2
[10:00am-10:10am] Arun Bansil, Topological Phases Harbored in Thin Film Materials
[10:10am-10:30am] Eric Borguet, Thrust III leader, Overview of Progress in Synthesis and Characterization of 2D Materials
[10:30am-10:40am] Ian McKendry, Synthetic Strategies for Enhancing Properties of 2D Materials
[10:40am-10:50am] Qiao Qiao, Interplay between Electronic and Structural Modulations in Quasi-2D Materials
Coffee Break - [10:50am-11:10am]
[11:10am-11:30am] Arun Bansil, Forum A leader, Overview of Cross-Cutting Activities of Forum A
[11:30am-11:40am] Maria Iavarone, STM Characterization of MoS2 Films
[11:40am-11:50am] Liping Yu, Bending Effects on the Electronic Structure of Nanoribbons
[11:50am-12:10pm] Daniel Strongin, Forum B leader, Making a Layered Material More Catalytically Active by Computational Design
[12:10pm-12:20pm] Richard Remsing, Frustration Leads to Success
[12:20pm-12:30pm] Michael Zdilla, Combining Theory and Experiment to Identify and Accentuate Key Features in Water Oxidation Catalysis
Lunch break - [12:30pm-1:30pm]
External Advisory Board members and Provost meet for a private lunch
Round Table Forum A - [2:15pm-3:15pm]
Goran Karapetrov, Competing Correlated Electron States in TiSe2
Jeb Bates, Guiding Experiment with Theory; Reflecting on the Impact of SCAN from Molecules to Layered Materials
Bernardo Barbiellini, Designing Bifunctional Catalyst for Oxygen Reduction and Evolution
Coffee Break - [3:15pm-3:30pm]
Round Table Forum B - [3:30pm-4:30pm]
Linyou Cao, Towards Extreme Manipulation of the Chemistry and Physics in 2D Materials
Akila Thenuwara, Metal Confinement in Layered Oxides: an Effective Strategy for Enhanced Water Oxidation
Haowei Peng, Planning of High-Throughput Calculation on 2D Materials
Executive Committee Meeting - [4:30pm-5:15pm]
Poster session - [4:30pm-6:00pm]
Dinner - [6:30pm-8:30pm]
Sang Kee Peking Duck House, 238 N 9th St, Philadelphia
Executive Committee and Advisory Board Dinner - [6:30pm-8:30pm]
Le Chéri, 251 S 18th St, Philadelphia
Friday, May 13, 2016
Breakfast [8:00am – 9:30am]
Session 1
[9:00am-10:30am] Executive Committee and Advisory Board Members Meeting
[10:00am-10:10am] Haowei Peng, SCAN with a Long-Range van der Waals Correction
[10:10am-10:20am] Shuyang Dai, A Multiscale Model for the Structure of Twisted Bilayer Graphene
[10:20am-10:30am] Xifan Wu, Stabilization of Highly Polar BiFeO3-like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices
[10:30am-10:40am] Joel Berry, Stretching, Bending, and Crystal Structure Transformations in 2D TMDs
[10:40am-10:50am] Yimei Zhu, Direct Observations of Photoexcitation Induced Dynamics of Charge Density Wave and Charge-Orbital Ordered States Using Ultrafast Electrons
[10:50am-11:00am] Xiaoxing Xi, Building 2D Oxides One Atomic Layer at a Time
[11:00am-11:10am] Yaroslav Aulin, Steady State and Ultrafast Optical Characterization of 2D Materials
[11:10am-11:20am] Daniel Trainer, Growth and Characterization of MoS2 Films
[11:30am-12:15pm] Qimin Yan, First-Principles Data-Driven Discovery of Transition Metal Oxides for Artificial Photosynthesis
[12:15pm-12:30pm] John Perdew, Closing
Lunch break - [12:30pm-1:30pm]