Wednesday, March 15, 2017
11:15AM - 11:51AM
|
|
L1.00001: Dabbling in the rich color palette of van der Waals bonded layered materials
Invited Speaker:
Alex Zettl
Preview Abstract |
Wednesday, March 15, 2017
11:51AM - 12:03PM
|
|
L1.00002: Strong van der Waals attractive forces in nanotechnology.
Jeffrey Reimers
Preview Abstract |
Wednesday, March 15, 2017
12:03PM - 12:15PM
|
|
L1.00003: Modeling of Materials for Energy Storage: A Challenge for Density Functional Theory
Merzuk Kaltak, Marivi Fernandez-Serra, Mark S. Hybertsen
Preview Abstract |
Wednesday, March 15, 2017
12:15PM - 12:27PM
|
|
L1.00004: Interplay of H$_{2}$O and K$^+$ inside the channels of Mn$_{8}$O$_{16}$
Vidushi Sharma, Merzuk Kaltak, Mark Hybertsen, Marivi Fernandez-Serra
Preview Abstract |
Wednesday, March 15, 2017
12:27PM - 12:39PM
|
|
L1.00005: Thermo-mechanical behavior of nanoparticle membranes.
Henry Chan, Badri Narayanan, Yifan Wang, Xiao-Min Lin, Heinrich Jaeger, Sankaranarayanan Subramanian
Preview Abstract |
Wednesday, March 15, 2017
12:39PM - 12:51PM
|
|
L1.00006: Biogenic twinned crystals exhibiting unique morphological symmetry
Anna Hirsch, Dvir Gur, Ben Palmer, Lia Addadi, Leslie Leiserowitz, Leeor Kronik
Preview Abstract |
Wednesday, March 15, 2017
12:51PM - 1:03PM
|
|
L1.00007: Origin and structure of polar domains in doped molecular crystals
Ido Azuri, Elena Meirzadeh, Yubo Qi, David Ehre, Andrew Rappe, Meir Lahav, Leeor Kronik, Igor Lubomirsky
Preview Abstract |
Wednesday, March 15, 2017
1:03PM - 1:15PM
|
|
L1.00008: Anharmonic and Quantum Fluctuations in Molecular Crystals from Ab Initio Simulations
Mariana Rossi, Piero Gasparotto, Michele Ceriotti
Preview Abstract |
Wednesday, March 15, 2017
1:15PM - 1:27PM
|
|
L1.00009: First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies
Johannes Hoja, Hsin-Yu Ko, Roberto Car, Robert A. DiStasio Jr., Alexandre Tkatchenko
Preview Abstract |
Wednesday, March 15, 2017
1:27PM - 1:39PM
|
|
L1.00010: Genarris: Parallelized Configuration Space Screening of Molecular Crystals Aided by a Harris Approximation
Xiayue Li, Farren Curtis, Christoph Schober, Alvaro Vazquez-Mayagoitia, Harald Oberhofer, Noa Marom
Preview Abstract |
Wednesday, March 15, 2017
1:39PM - 1:51PM
|
|
L1.00011: Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[c ]-isothiazole
Farren Curtis, Xiaopeng Wang, Noa Marom
Preview Abstract |
