Thursday, March 16, 2017
8:00AM - 8:12AM
|
|
R1.00001: Decomposition mechanisms in metal borohydrides and their ammoniates
Evan Welchman, Timo Thonhauser
Preview Abstract |
Thursday, March 16, 2017
8:12AM - 8:24AM
|
|
R1.00002: H4-alkanes: A new class of hydrogen storage material?
David Harrison, Evan Welchman, Timo Thonhauser
Preview Abstract |
Thursday, March 16, 2017
8:24AM - 8:36AM
|
|
R1.00003: First-principles study of van der Waals driven molecular sponges as carriers for small molecules
Majid Mortazavi, Alexandre Tkatchenko
Preview Abstract |
Thursday, March 16, 2017
8:36AM - 8:48AM
|
|
R1.00004: First-principles studies of small-molecule adsorption and mechanical properties of amine-appended metal-organic frameworks
Jung-Hoon Lee, Jeffrey B. Neaton
Preview Abstract |
Thursday, March 16, 2017
8:48AM - 9:00AM
|
|
R1.00005: Zero and finite temperature adsorption energies in zeolites: A random phase approximation study
Anant Dixit, Michael Badawi, Tomas Bucko, Sebastien Lebegue, Janos Angyan, Dario Rocca
Preview Abstract |
Thursday, March 16, 2017
9:00AM - 9:12AM
|
|
R1.00006: Interlayer Binding of Bilayer Low-dimensional $sp$,$sp^2$- Hybridized Carbon Networks : Quantum Monte Carlo Study
Hyeondeok Shin, Jeongnim Kim, Anouar Benali, Yongkyung Kwon
Preview Abstract |
Thursday, March 16, 2017
9:12AM - 9:24AM
|
|
R1.00007: Non-Covalent Interactions and Thermal Effects in the Quest for Selective Atomic Layer Deposition
Jonathan Wong, Taewon Suh, Ka Un Lao, James R. Engstrom, Robert A. DiStasio Jr.
Preview Abstract |
Thursday, March 16, 2017
9:24AM - 9:36AM
|
|
R1.00008: Critical wetting instabilities of light gases on graphene
Adrian Del Maestro, Sanghita Sengupta, Nathan Nichols, Valeri Kotov
Preview Abstract |
Thursday, March 16, 2017
9:36AM - 9:48AM
|
|
R1.00009: Diffusion Monte Carlo method for evaluating Hamaker constants
Ryo Maezono, Kenta Hongo
Preview Abstract |
Thursday, March 16, 2017
9:48AM - 10:00AM
|
|
R1.00010: Fabrication of functional ultrathin single-crystal nanowires from quasi-one dimensional van der Waals crystals Ta$_{\mathrm{2}}$(Pd or Pt)$_{\mathrm{3}}$Se$_{\mathrm{8}}$
Xue Liu, Jinyu Liu, Jin Hu, Chunlei Yue, Zhiqiang Mao, Jiang Wei, Yibo Zhu, Ana Sanchez, Liubov Antipina, Pavel Sorokin
Preview Abstract |
Thursday, March 16, 2017
10:00AM - 10:12AM
|
|
R1.00011: Two-dimensional van der Waals p-n junction of InSe/Phosphorene
Jose Eduardo Padilha, Roberto Hiroki Miwa, Antonio Jose Roque da Silva, Adalberto Fazzio
Preview Abstract |
Thursday, March 16, 2017
10:12AM - 10:24AM
|
|
R1.00012: Long-Range Repulsion Between Spatially Confined van der Waals Dimers
Mainak Sadhukhan, Alexandre Tkatchenko
Preview Abstract |
