Thursday, March 8, 2018
8:00AM - 8:36AM
|
|
R20.00001: Using the relative entropy to sample free energy landscapes with transferable coarse-grained models
Invited Speaker:
M. Scott Shell
|
Thursday, March 8, 2018
8:36AM - 8:48AM
|
|
R20.00002: Addressing Temperature Transferability of structure based Coarse Graining Models
David Rosenberger, Nico van der Vegt
|
Thursday, March 8, 2018
8:48AM - 9:00AM
|
|
R20.00003: Monte Carlo Sampling with Layered Auxiliary Potentials
Michael Webb, Nicholas Jackson, Juan De Pablo
|
Thursday, March 8, 2018
9:00AM - 9:12AM
|
|
R20.00004: Molecular enhanced sampling with autoencoders: On-the-fly nonlinear collective variable discovery and accelerated free energy landscape exploration
Wei Chen, Andrew Ferguson
|
Thursday, March 8, 2018
9:12AM - 9:24AM
|
|
R20.00005: Extracting collective motions underlying nucleosome dynamics via nonlinear manifold learning
Ashley Guo, Joshua Lequieu, Joshua Moller, Juan De Pablo
|
Thursday, March 8, 2018
9:24AM - 9:36AM
|
|
R20.00006: Learning Free Energies from Molecular Simulation using Artificial Neural Networks
Hythem Sidky, Jonathan Whitmer
|
Thursday, March 8, 2018
9:36AM - 9:48AM
|
|
R20.00007: Using Free Energy Perturbation to Differentiate ssDNA-Wrapped Single-Walled Carbon Nanotube Complexes
Kevin Hinkle, Frederick Phelan Jr.
|
Thursday, March 8, 2018
9:48AM - 10:00AM
|
|
R20.00008: Adaptive Enhanced Sampling with FUNN: Force-biasing Using Neural Networks
Ashley Guo, Emre Sevgen, Hythem Sidky, Jonathan Whitmer, Juan De Pablo
|
Thursday, March 8, 2018
10:00AM - 10:12AM
|
|
R20.00009: Path-Accelerated Molecular Dynamics: Parallelizing Molecular Dynamics in Time using Path Integrals
Jorge Rosa, Bin Zhang, Thomas Miller
|
Thursday, March 8, 2018
10:12AM - 10:24AM
|
|
R20.00010: ABSTRACT WITHDRAWN
|
Thursday, March 8, 2018
10:24AM - 10:36AM
|
|
R20.00011: Metadynamics study of protein crystal nucleation and growth
Jens Glaser, Sharon Glotzer
|
