Tuesday, March 5, 2019
8:00AM - 8:36AM
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E21.00001: Parallel approaches to long-time atomistic simulations: decomposition, replication, and speculation
Invited Speaker:
Danny Perez
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Tuesday, March 5, 2019
8:36AM - 8:48AM
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E21.00002: Advanced computational methods for an accurate thermodynamic description of the paramagnetic state of magnetic materials from first principles
Davide Gambino, Bjorn Alling
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Tuesday, March 5, 2019
8:48AM - 9:00AM
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E21.00003: Coupled spin dynamics and ab initio molecular dynamics approach for paramagnetic materials
Irina Stockem, Anders Bergman, Albert Glensk, Blazej Grabowski, Fritz Körmann, Tilmann Hickel, Jörg Neugebauer, Bjorn Alling
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Tuesday, March 5, 2019
9:00AM - 9:12AM
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E21.00004: Full spin modeling and efficient mapping of the high dimensional Hamiltonian in Dy2Ti2O7
Anjana Samarakoon, David Tennant, Cristian Batista, Qiang Zhang, Feng Ye, Haidong Zhou, Markus Eisenbach, Kipton Barros, Santiago Grigera, Ying Wai Li, Zhiling Dun
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Tuesday, March 5, 2019
9:12AM - 9:24AM
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E21.00005: Digital Alchemy Applied to Molecular Dynamics
James Proctor, Greg Van Anders, Sharon Glotzer
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Tuesday, March 5, 2019
9:24AM - 9:36AM
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E21.00006: Exploring the Early Stages of Corrosion with ab initio Adaptive Kinetic Monte Carlo Simulations of Non-Equilibrium Oxides
Michael Waters, James M Rondinelli
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Tuesday, March 5, 2019
9:36AM - 9:48AM
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E21.00007: Removing Lattice Constraints from Lattice Protein Models: A Wang-Landau Study
Alfred Farris, Daniel T. Seaton, David P Landau
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Tuesday, March 5, 2019
9:48AM - 10:00AM
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E21.00008: Ensemble Monte Carlo Growth simulations of polymers in confined environments
Graziano Vernizzi, Trung Nguyen, Henri Orland, Monica Olvera de la Cruz
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Tuesday, March 5, 2019
10:00AM - 10:12AM
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E21.00009: Model Amyloid Protofibrils Simulated with Replica-Exchange Wang-Landau
Matthew S. Wilson, Guangjie Shi, David P Landau, Thomas Wuest, Friederike Schmid
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Tuesday, March 5, 2019
10:12AM - 10:24AM
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E21.00010: Conformational mechanics for polymers doubly-grafted to a homogeneous substrate
Shengming Zhang, Michael Bachmann
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Tuesday, March 5, 2019
10:24AM - 10:36AM
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E21.00011: Framework to track Order-Disorder Transitions - From Particles to Block Copolymers
Ankita Mukhtyar, Fernando A Escobedo
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Tuesday, March 5, 2019
10:36AM - 10:48AM
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E21.00012: Noise reduction and automated molecule detection in atomistic diffusion calculations of correlated systems
Nicola Molinari, Ian Leifer, Yu Xie, Boris Kozinsky
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Tuesday, March 5, 2019
10:48AM - 11:00AM
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E21.00013: Scaling relations for the continuum limit from collisions between nanoclusters and rough surfaces
Eric Switzer, Aniket Bhattacharya
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