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Luis Itza Vazquez-Salazar
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Towards better chemical databases for atomistic machine learning
Machine learning (ML) has revolutionized atomistic simulations…
Presenter
Luis Itza Vazquez-Salazar
Speaker
Markus Meuwly
Towards better chemical databases for atomistic machine learning
Machine learning (ML) has revolutionized atomistic simulations…
Speakers
Markus Meuwly
Luis Itza Vazquez-Salazar
Machine Learning in Chemistry: Potential Energy Functions
: [COMP] Division of Computers in Chemistry
Speakers
Robert Pollice
University of Toronto Faculty of Arts and Science
Alan Aspuru-Guzik
Luis Itza Vazquez-Salazar
Markus Meuwly
Zhen Liu
Graduate Student
,
Carnegie Mellon University
Tetiana Zubatiuk
Olexandr Isayev
Carnegie Mellon University
Tristan G. Maxson
Ball State University
Tibor Szilvasi
University of Wisconsin-Madison
Alex Maldonado
John Keith
Felix Pultar
Postdoctoral Scholar
,
ETH Zurich
Lennard Böselt
Albert Hofstetter
Sereina Riniker
Prof.
,
ETH Zurich
Tushar Ghosh
John Philbin
Tor Haugland
Enrico Ronca
Prof.
,
University of Perugia
Ming Chen
Prineha Narang
Henrik Koch
Chong Teng
Yang Wang
Daniel Huang
Katherine Martin
Jean-Baptiste Tristan
Junwei Lucas Bao
Joseph Gomes
Kjell Jorner
Rodrigo Vargas-Hernández
Alex Dickson
Michigan State University
Towards better chemical databases for atomistic machine learning
Machine learning (ML) has revolutionized atomistic simulations…
Speakers
Markus Meuwly
Luis Itza Vazquez-Salazar
Machine Learning in Chemistry: Potential Energy Functions
: [COMP] Division of Computers in Chemistry
Speakers
Alex Dickson
Michigan State University
Rodrigo Vargas-Hernández
Kjell Jorner
Robert Pollice
University of Toronto Faculty of Arts and Science
Alan Aspuru-Guzik
Luis Itza Vazquez-Salazar
Markus Meuwly
Zhen Liu
Graduate Student
,
Carnegie Mellon University
Tetiana Zubatiuk
Olexandr Isayev
Carnegie Mellon University
Tristan G. Maxson
Ball State University
Tibor Szilvasi
University of Wisconsin-Madison
Alex Maldonado
John Keith
Felix Pultar
Postdoctoral Scholar
,
ETH Zurich
Lennard Böselt
Albert Hofstetter
Sereina Riniker
Prof.
,
ETH Zurich
Tushar Ghosh
John Philbin
Tor Haugland
Enrico Ronca
Prof.
,
University of Perugia
Ming Chen
Prineha Narang
Henrik Koch
Chong Teng
Yang Wang
Daniel Huang
Katherine Martin
Jean-Baptiste Tristan
Junwei Lucas Bao
Joseph Gomes
Towards better chemical databases for atomistic machine learning
Date
August 14, 2023
Machine learning (ML) has revolutionized the field of atomistic simulations. It is now possible to obtain high-quality predictions of chemical properties such as total energies, forces, or dipoles at a low computational cost…
Presenter
Luis Itza Vazquez-Salazar
Speaker
Markus Meuwly