Thursday, March 7, 2024
11:30AM - 12:06PM
|
|
T18.00001: Walking the surfaces with AI-powered MD simulations
Invited Speaker:
Sapna Sarupria
|
Thursday, March 7, 2024
12:06PM - 12:18PM
|
|
T18.00002: Enhanced Sampling using Birth-Death Algorithm
ARCHANA GOPAKUMAR REMANIDEVI, Benjamin Pampel, Simon Holbach, Lisa Hartung, Omar Valsson, Burkhard Dunweg
|
Thursday, March 7, 2024
12:18PM - 12:30PM
|
|
T18.00003: Stochastic Resetting for Enhanced Sampling
Ofir Blumer, Shlomi Reuveni, Barak Hirshberg
|
Thursday, March 7, 2024
12:30PM - 12:42PM
|
|
T18.00004: Manifold Learning of Collective Variables for Enhanced Sampling Simulations
Omar Valsson
|
Thursday, March 7, 2024
12:42PM - 12:54PM
|
|
T18.00005: Efficient Sampling for Structure Search Using VAE-Organized Latent Spaces and Genetic Algorithms
Venkata Surya Chaitanya Kolluru, Nina Andrejevic, Maria K Chan
|
Thursday, March 7, 2024
12:54PM - 1:06PM
|
|
T18.00006: Complex local environments classification of shape particles through shape-symmetry encoded data augmentation.
Shih Kuang Lee, Sharon C Glotzer, Sun-Ting Tsai
|
Thursday, March 7, 2024
1:06PM - 1:18PM
|
|
T18.00007: Learning all-atom molecular reactions using data-driven approaches
Julia H Yang, Whai Shin Amanda Ooi, Zachary A Goodwin, Yu Xie, Ah-Hyung Alissa Park, Boris Kozinsky
|
Thursday, March 7, 2024
1:18PM - 1:30PM
|
|
T18.00008: Exploring transferability of machine learning interatomic potentials for reactive chemistry
Quin H Hu, Jason D Goodpaster
|
Thursday, March 7, 2024
1:30PM - 1:42PM
|
|
T18.00009: Active Learning of Diffusion Pathways for Machine-Learned Interatomic Potentials
Michael J Waters, James M Rondinelli
|
Thursday, March 7, 2024
1:42PM - 1:54PM
|
|
T18.00010: Modeling reaction-diffusion in the liquid-phase heterogeneous catalysis using machine-learned force field.
Neeraj Rai, Woodrow Wilson
|
Thursday, March 7, 2024
1:54PM - 2:06PM
|
|
T18.00011: Charge-dependent atomic cluster expansions
James M Goff
|
Thursday, March 7, 2024
2:06PM - 2:18PM
|
|
T18.00012: Rapidly converging cluster expansions by transfer learning from empirical potentials
Amirreza Dana, Ismaila Dabo, Susan B Sinnott, Lingxiao Mu
|
Thursday, March 7, 2024
2:18PM - 2:30PM
|
|
T18.00013: Accelerated Predictions of Charge Density Evolution in MD simulations Using Machine Learning
Aditya Venkatraman, Mark A Wilson, David Montes de Oca Zapiain
|
