Thursday, March 9, 2023
8:00AM - 8:36AM
|
|
S17.00001: Sparse, active learning of stochastic differential equations from data
Invited Speaker:
Benedikt Sabass
|
Thursday, March 9, 2023
8:36AM - 8:48AM
|
|
S17.00002: Effects of many-body dispersion interactions on phase transitions of coarse-grained polymers
Benedikt Ames, Mario Galante, Matteo Gori, Alexandre Tkatchenko
|
Thursday, March 9, 2023
8:48AM - 9:00AM
|
|
S17.00003: Machine learning enhanced computational reverse-engineering analysis for scattering experiments (CREASE) of soft materials to establish structure-property relationships
Arthi Jayaraman, Christian M Heil
|
Thursday, March 9, 2023
9:00AM - 9:12AM
|
|
S17.00004: Stefan-Maxwell diffusivities in concentrated multi-species transport, and the Onsager's regression hypothesis.
Maxim Zyskin, Charles W Monroe
|
Thursday, March 9, 2023
9:12AM - 9:24AM
|
|
S17.00005: Collective Dynamics of Glass-Forming Liquids in Two and Three Dimensions
Yangyang Wang, Michael S Jacobs, Zhiqiang Shen, Jan-Michael Carrillo, Bobby G Sumpter
|
Thursday, March 9, 2023
9:24AM - 9:36AM
|
|
S17.00006: Stability Study on Anion exchanged Donor-Acceptor based co-polymers
Meghna Jha
|
Thursday, March 9, 2023
9:36AM - 9:48AM
|
|
S17.00007: Bottom-up coarse-graining scheme for the preservation of relevant slow degrees of freedom in soft materials.
David G Rosenberger, Frank Noe, Cecilia Clementi, Andreas Bittracher, Clark Templeton, Wangfei Yang, Feliks Nüske
|
Thursday, March 9, 2023
9:48AM - 10:00AM
|
|
S17.00008: Harnessing GPU-Enhanced Simulations for Efficient DFTB Metadynamics of Biochemical Systems
Anshuman Kumar, Pablo Arantes, Aakash Saha, Giulia Palermo, Bryan M Wong
|
Thursday, March 9, 2023
10:00AM - 10:12AM
|
|
S17.00009: Protein and Coupled Solvent Dynamics of Oligomeric and Fibrillar α-Synulein
Katie Whitcomb, Kurt Warncke
|
Thursday, March 9, 2023
10:12AM - 10:24AM
|
|
S17.00010: Methodological advances in training bottom-up neural network coarse-grained force-fields
Aleksander Durumeric, Frank Noe, Andreas Kraemer, Cecilia Clementi
|
Thursday, March 9, 2023
10:24AM - 10:36AM
|
|
S17.00011: Construction of phase diagram for binary polymer blend with unsupervised machine learning
Inhyuk Jang, Arun Yethiraj
|
Thursday, March 9, 2023
10:36AM - 10:48AM
|
|
S17.00012: Efficient Sampling of Equilibrium Distributions with Scalable Autoregressive Flow Models
Sherry Li, Grant M Rotskoff
|
Thursday, March 9, 2023
10:48AM - 11:00AM
|
|
S17.00013: Neural-Network Pauli Repulsion Potentials for Density-Functional Tight Binding for Large Molecular Systems
Leonardo Medrano Sandonas, Mirela Puleva, Martin Stoehr, Alexandre Tkatchenko
|
