APS March Meeting 2017
Volume 62, Number 4
Monday–Friday, March 13–17, 2017;
New Orleans, Louisiana
Session Index
Session A25: Advances in Molecular Dynamics Simulations: From Atomistic to Coarse Grained Models-I
Focus Session
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Show Abstracts |
Sponsoring Units: DCP
Chair: Gregory Voth, University of Chicago
Room: 288
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Monday, March 13, 2017
8:00AM - 8:36AM
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A25.00001: Entropy as a collective variable
Invited Speaker:
Michele Parrinello
Preview Abstract |
Monday, March 13, 2017
8:36AM - 8:48AM
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A25.00002: Machine Learning of Quantum Forces: building accurate force fields for molecular dynamics simulation via ``covariant'' kernels.
Aldo Glielmo, Peter Sollich, Alessandro De Vita
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Monday, March 13, 2017
8:48AM - 9:00AM
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A25.00003: AMOEBA 2.0: A physics-first approach to biomolecular simulations
Joshua Rackers, Jay Ponder
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Monday, March 13, 2017
9:00AM - 9:36AM
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A25.00004: Multiscale simulations of patchy particle systems combining Molecular Dynamics, Path Sampling and Green's Function Reaction Dynamics
Invited Speaker:
Peter Bolhuis
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Monday, March 13, 2017
9:36AM - 9:48AM
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A25.00005: Prediction of purification of biopharmeceuticals with molecular dynamics
Vincent Ustach, Roland Faller
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Monday, March 13, 2017
9:48AM - 10:00AM
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A25.00006: Molecular Dynamics based lattice gas automata
Alexander Wagner, Reza Parsa
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Monday, March 13, 2017
10:00AM - 10:36AM
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A25.00007: Coarse-grained molecular dynamics simulations for giant protein-DNA complexes.
Invited Speaker:
Shoji Takada
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Monday, March 13, 2017
10:36AM - 10:48AM
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A25.00008: Probing the Phase Behavior of Coarse-Grained Polymer Models with Nested Sampling
Kenneth Salerno, Noam Bernstein
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Monday, March 13, 2017
10:48AM - 11:00AM
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A25.00009: Dynamics in entangled polyethylene melts using coarse-grained models
Brandon L. Peters, Gary S. Grest, K. Michael Salerno, Anupriya Agrawal, Dvora Perahia
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