Thursday, March 5, 2015
11:15AM - 11:27AM
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T23.00001: Time Domain Propagation of Quantum and Classical Systems using a Wavelet Basis Set Method
Richard Lombardini, Ewa Nowara, Bruce Johnson
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Thursday, March 5, 2015
11:27AM - 11:39AM
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T23.00002: A Hamiltonian theory of adaptive resolution simulations of classical and quantum models of nuclei
Karsten Kreis, Davide Donadio, Kurt Kremer, Raffaello Potestio
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Thursday, March 5, 2015
11:39AM - 11:51AM
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T23.00003: Simulating long time behavior of materials: a case study of sintering of nanoparticles
Amit Samanta, Selim Elhadj, Jeff Bude, Tammy Olson, Jon Lee, Jae Hyuck Yoo
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Thursday, March 5, 2015
11:51AM - 12:03PM
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T23.00004: Time-dependent potential-functional embedding theory
Chen Huang, Florian Libisch, Qing Peng, Emily Carter
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Thursday, March 5, 2015
12:03PM - 12:15PM
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T23.00005: Coupled molecular-dynamics and first-principle transport calculations of metal/oxide/metal heterostructures
Peter Zapol, Dmitry Karpeyev, Ketan Maheshwari, Xiaoliang Zhong, Badri Narayanan, Subramanian Sankaranarayanan, Michael Wilde, Olle Heinonen, Ivan Rungger
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Thursday, March 5, 2015
12:15PM - 12:27PM
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T23.00006: Quasi-continuum multiscale theory for confined Lennard-Jones fluid mixture
Mohammad H. Motevaselian, Sikandar Y. Mashayak, Narayana R. Aluru
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Thursday, March 5, 2015
12:27PM - 12:39PM
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T23.00007: Multiscale Investigations of the Oxidation of Stepped Cu Surfaces
Qing Zhu, Wissam Saidi, Judith Yang
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Thursday, March 5, 2015
12:39PM - 12:51PM
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T23.00008: A systematically improvable second-principles method including electron and lattice degrees of freedom
Pablo Garcia-Fernandez, Jacek Wojde\l, Jorge \'I\~niguez, Javier Junquera
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Thursday, March 5, 2015
12:51PM - 1:03PM
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T23.00009: Mesoscale modeling of functional properties in core-shell nanoparticles
John Mangeri, Olle Heinonen, Dmitry Karpeev, Serge Nakhmanson
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Thursday, March 5, 2015
1:03PM - 1:15PM
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T23.00010: The impact of resolution upon the complexity, information, thermodynamics, and transferability of coarse-grained models
Thomas Foley, M. Scott Shell, William Noid
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Thursday, March 5, 2015
1:15PM - 1:27PM
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T23.00011: Calculation of energy relaxation rates of fast particles by phonons in crystals
Micah Prange, Luke Campbell, Dangxin Wu, Sebastien Kerisit
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Thursday, March 5, 2015
1:27PM - 1:39PM
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T23.00012: Using the IRC n-Tiered model to generate exact numeric solutions for possible leptons
Aran Stubbs
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Thursday, March 5, 2015
1:39PM - 1:51PM
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T23.00013: A variational free-energy functional approach to the Schr\"{o}dinger-Poisson theory
Francisco J. Solis, Vikram Jadhao, Kaushik Mitra, Monica Olvera de la Cruz
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Thursday, March 5, 2015
1:51PM - 2:03PM
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T23.00014: Ab initio quantum transport in atomic carbon chains
Andr\'es R. Botello-M\'endez, Jean-Christophe Charlier, Florian Banhart
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Thursday, March 5, 2015
2:03PM - 2:15PM
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T23.00015: Development of a non-equilibrium quantum transport calculation method based on constrained density functional
Han Seul Kim, Yong-Hoon Kim
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