Tuesday, March 7, 2023
3:00PM - 3:36PM
|
|
K62.00001: Reinforcement Learning Agent for autonomous predictive material synthesis and transport pathways
Invited Speaker:
ankit mishra
|
Tuesday, March 7, 2023
3:36PM - 3:48PM
|
|
K62.00002: Judicious Curation of DFT Machine Learning Datasets for Accurate, Flexible, and Transferrable Atomistic Potentials for Elemental Systems and Metal Oxides
Wissam A Saidi, Christopher M Andolina, Pandu Wisesa
|
Tuesday, March 7, 2023
3:48PM - 4:00PM
|
|
K62.00003: Probing Thermomechanical Properties of Two-dimensional van der Waals Architectures Using Surface Acoustic Waves
Anikeya Aditya, Nitish Baradwaj, ankit mishra, Ken-ichi Nomura, Aiichiro Nakano, Priya Vashishta, Rajiv K Kalia
|
Tuesday, March 7, 2023
4:00PM - 4:12PM
|
|
K62.00004: An unsupervised data mining methodology for analysis of molecular dynamics sampling of local coordination
Fabrice Roncoroni, Ana Sanz Matias, Siddharth Sundararaman, David Prendergast
|
Tuesday, March 7, 2023
4:12PM - 4:24PM
|
|
K62.00005: Evaluating robustness of machine learned force fields with enhanced sampling methods
Gustavo R Perez Lemus, Juan J De Pablo, Pablo Zubieta, Yezhi Jin
|
Tuesday, March 7, 2023
4:24PM - 4:36PM
|
|
K62.00006: Structure and Dielectric Properties of Water and Aqueous Solutions Using Neural Network Quantum Molecular Dynamics
RURU MA, Aravind Krishnamurthy, Nitish Baradwaj, Ken-ichi Nomura, Kohei Shimamura, Pankaj Rajak, Fuyuki Shimojo, Aiichiro Nakano, Rajiv K Kalia, Priya Vashishta
|
Tuesday, March 7, 2023
4:36PM - 5:12PM
|
|
K62.00007: HubbardNet: efficient predictions of the Bose-Hubbard model spectrum with deep neural networks
Invited Speaker:
Ziyan Zhu
|
Tuesday, March 7, 2023
5:12PM - 5:24PM
|
|
K62.00008: Ab initio-based deep potential simulation of 2D confined water
Iman Ahmadabadi, Marcos Calegari Andrade, Pablo M Piaggi, Roberto Car
|
Tuesday, March 7, 2023
5:24PM - 5:36PM
|
|
K62.00009: Thermodynamics and Phase Behavior of Alkali Metal Mixture Using Ab-initio-based Machine Learning Interatomic Potentials
Ayu Irie, Akihide Koura, Kohei Shimamura, Fuyuki Shimojo
|
Tuesday, March 7, 2023
5:36PM - 5:48PM
Author not Attending
|
|
K62.00010: Physically and chemically inspired kernel-based neural network for constructing accurate and efficient machine learning force fields for hundreds of atoms.
Igor Poltavskyi, Anton Charkin-Gorbulin, Artem Kokorin, Alexandre Tkatchenko, Grgory Cordeiro Fonseca
|
Tuesday, March 7, 2023
5:48PM - 6:00PM
|
|
K62.00011: Bonded Potential Dynamics in Chemically-Specific Coarse-Grained Models of Polymers
Frederick R Phelan, Lilian C Johnson
|
