Emerging Trends in Molecular Dynamics Simulations and Data Analytics III
FOCUS · P21 ·
Presentations
-
Deep Learning for Multi-Scale Molecular Modelling
Invited
–
Presenters
-
Weinan E
- Princeton University
Authors
-
Weinan E
- Princeton University
-
-
Predictive Atomistic Simulations of Materials using SNAP Data-Driven Potentials
Invited
–
Presenters
-
Aidan Thompson
- Sandia National Labs
- Sandia National Laboratories
Authors
-
Aidan Thompson
- Sandia National Labs
- Sandia National Laboratories
-
-
Machine learning of reaction pathways in chemical vapor deposition of MoS<sub>2</sub> monolayers
ORAL
–
Presenters
-
Aravind Krishnamoorthy
- University of Southern California
- Physics & Astronomy, University of Southern California
Authors
-
Aravind Krishnamoorthy
- University of Southern California
- Physics & Astronomy, University of Southern California
-
Pankaj Rajak
- University of Southern California
- Argonne national laboratory
- Argonne Leadership Computing Facility, Argonne National Laboratory
- Physics & Astronomy, University of Southern California
-
Aiichiro Nakano
- University of Southern California
- Physics, University of Southern California
- Physics & Astronomy, University of Southern California
-
Rajiv Kalia
- University of Southern California
- Physics, University of Southern California
- Physics & Astronomy, University of Southern California
-
Priya Vashishta
- University of Southern California
- Physics, University of Southern California
- Collaboratory for Advanced Computing and Simulations, University of Southern California
- Physics & Astronomy, University of Southern California
-
-
Development of artificial neural network potential for hexagonal boron nitride with and without defects
ORAL
–
Presenters
-
Talat S. Rahman
- University of Central Florida
- Department of Physics, University of Central Florida
- Physics, University of Central Florida
Authors
-
Talat S. Rahman
- University of Central Florida
- Department of Physics, University of Central Florida
- Physics, University of Central Florida
-
Duy Le
- University of Central Florida
- Department of Physics, University of Central Florida
- Physics, University of Central Florida
-
-
Active-learning strategy for the development of application-specific machine-learning force fields
ORAL
–
Presenters
-
Huan Tran
- Georgia Institute of Technology
Authors
-
Huan Tran
- Georgia Institute of Technology
-
Rohit Batra
- Georgia Institute of Technology
- School of Materials Science and Engineering, Georgia Institute of Technology
- School of Materials Science and Engineering, Georgia Institute of Techmology
-
James Chapman
- Georgia Institute of Technology
- Materials Science and Engineering, Georgia Institute of Technology
-
Chiho Kim
- Georgia Institute of Technology
-
Anand Chandrashekaran
- Georgia Institute of Technology
-
Ramamurthy Ramprasad
- Georgia Institute of Technology
- University of Connecticut
- School of Materials Science and Engineering, Georgia Institute of Technology
- Materials Science and Engineering, Georgia Institute of Technology
- School of Materials Science and Engineering, Georgia Institute of Techmology
-
-
Deep Generative Model of Interfacial Structures in Phase Transformation of an MoWSe<sub>2</sub> Monolayer
ORAL
–
Presenters
-
Pankaj Rajak
- University of Southern California
- Argonne national laboratory
- Argonne Leadership Computing Facility, Argonne National Laboratory
- Physics & Astronomy, University of Southern California
Authors
-
Pankaj Rajak
- University of Southern California
- Argonne national laboratory
- Argonne Leadership Computing Facility, Argonne National Laboratory
- Physics & Astronomy, University of Southern California
-
Aravind Krishnamoorthy
- University of Southern California
- Physics & Astronomy, University of Southern California
-
Aiichiro Nakano
- University of Southern California
- Physics, University of Southern California
- Physics & Astronomy, University of Southern California
-
Rajiv Kalia
- University of Southern California
- Physics, University of Southern California
- Physics & Astronomy, University of Southern California
-
Priya Vashishta
- University of Southern California
- Physics, University of Southern California
- Collaboratory for Advanced Computing and Simulations, University of Southern California
- Physics & Astronomy, University of Southern California
-
-
Magnetism and superconductivity in amorphous carobn
ORAL
–
Presenters
-
Yuki Sakai
- Institute for Computational Engineering and Sciences, University of Texas at Austin
Authors
-
Yuki Sakai
- Institute for Computational Engineering and Sciences, University of Texas at Austin
-
James Chelikowsky
- Department of Physics, University of Texas at Austin
- University of Texas at Austin
-
Marvin L Cohen
- Department of Physics, University of California at Berkeley
- Physics, UC Berkeley
- University of California, Berkeley
-
-
Magnetostriction and Long-Range Interactions in Coupled Spin and Lattice Dynamics
ORAL
–
Presenters
-
Julien Tranchida
- Sandia National Laboratories
Authors
-
Julien Tranchida
- Sandia National Laboratories
-
Mitchell A Wood
- Sandia National Laboratories
-
Attila Cangi
- Sandia National Laboratories
-
Stan G. Moore
- Sandia National Laboratories
-
Pascal Thibaudeau
- Le Ripault, CEA-DAM
-
Steven James Plimpton
- Sandia National Laboratories
-
Aidan Thompson
- Sandia National Labs
- Sandia National Laboratories
-
-
Employing autoencoders for configuration space sampling: Application to small molecules.
ORAL
–
Presenters
-
Igor Poltavskyi
- FSTC, University of Luxembourg
- Physics and Materials Science Reasearch Unit, University of Luxembourg
Authors
-
Igor Poltavskyi
- FSTC, University of Luxembourg
- Physics and Materials Science Reasearch Unit, University of Luxembourg
-
Alexandre Tkatchenko
- University of Luxembourg
- FSTC, University of Luxembourg
- Physics and Materials Science Research Unit, University of Luxembourg
- Physics and Materials Science Reasearch Unit, University of Luxembourg
- Physics and Materials Science Research Unit, Université du Luxembourg
-
-
Atomistic mechanisms of phase transitions from Machine Learning
ORAL
–
Presenters
-
Rodrigo Freitas
- Department of Materials Science and Engineering, Stanford University
Authors
-
Rodrigo Freitas
- Department of Materials Science and Engineering, Stanford University
-
Evan Reed
- Department of Materials Science and Engineering, Stanford University
- Stanford University
-
-
Efficient Training of Neural-Network Interatomic Potentials with Atomic Forces
ORAL
–
Presenters
-
Simon Batzner
- Harvard University
- John A. Paulson School of Engineering and Applied Sciences, Harvard University
Authors
-
Simon Batzner
- Harvard University
- John A. Paulson School of Engineering and Applied Sciences, Harvard University
-
Boris Kozinsky
- Harvard University
- John A. Paulson School of Engineering and Applied Sciences, Harvard University
-