E-LIB Suche - Ergebnisse für: Ying Wai Li

1

Predictive Furnace Refractory Maintenance Procedures to Ext..:

, In: Proceedings of the 61st Conference of Metallurgists, COM 2022,

Sadri, Afshin ; Cramer, Matthew ; Ying, Wai Li Winnie - p. 175-192 , 2023

Link: https://doi.org/10.1007/..

2

Machine Learning Potentials with the Iterative Boltzmann In..:

Matin, Sakib ; Allen, Alice E. A. ; Smith, Justin...
Journal of Chemical Theory and Computation. , 2024

Link: https://doi.org/10.1021/..

3

Synergy of semiempirical models and machine learning in com..:

Fedik, Nikita ; Nebgen, Benjamin ; Lubbers, Nicholas...
The Journal of Chemical Physics. 159 (2023) 11 - p. , 2023

Link: https://doi.org/10.1063/..

4

HPC Application Performance Prediction with Machine Learnin..:

, In: Proceedings of the 2023 on Performance EngineeRing, Modelling, Analysis, and VisualizatiOn Strategy,

Yokelson, Dewi ; Charest, Marc Robert Joseph ; Li, Ying Wai - p. 1-8 , 2023

Link: https://dl.acm.org/doi/1..

5

Uncertainty-driven dynamics for active learning of interato..:

Kulichenko, Maksim ; Barros, Kipton ; Lubbers, Nicholas...
Nature Computational Science. 3 (2023) 3 - p. 230-239 , 2023

Link: https://doi.org/10.1038/..

6

Publisher Correction: Extending machine learning beyond int..:

Fedik, Nikita ; Zubatyuk, Roman ; Kulichenko, Maksim...
Nature Reviews Chemistry. 6 (2022) 12 - p. 916-916 , 2022

Link: https://doi.org/10.1038/..

7

Extending machine learning beyond interatomic potentials fo..:

Fedik, Nikita ; Zubatyuk, Roman ; Kulichenko, Maksim...
Nature Reviews Chemistry. 6 (2022) 9 - p. 653-672 , 2022

Link: https://doi.org/10.1038/..

8

Machine-Learning Accelerated Studies of Materials with High..:

, In: Driving Scientific and Engineering Discoveries Through the Integration of Experiment, Big Data, and Modeling and Simulation; Communications in Computer and Information Science,

Li, Ying Wai ; Doak, Peter W. ; Balduzzi, Giovanni... - p. 190-205 , 2022

Link: https://doi.org/10.1007/..

9

Supervised and unsupervised machine learning of structural ..:

Parker, Quinn ; Perera, Dilina ; Li, Ying Wai.
Physical Review E. 105 (2022) 3 - p. , 2022

Link: https://doi.org/10.1103/..

10

Performance Analysis of CP2K Code for Ab Initio Molecular D..:

Yokelson, Dewi ; Tkachenko, Nikolay V. ; Robey, Robert..
Journal of Chemical Information and Modeling. 62 (2022) 10 - p. 2378-2386 , 2022

Link: https://doi.org/10.1021/..

11

A scalable algorithm for the optimization of neural network..:

Lupo Pasini, Massimiliano ; Yin, Junqi ; Li, Ying Wai.
Parallel Computing. 104-105 (2021) - p. 102788 , 2021

Link: https://doi.org/10.1016/..

12

The Rise of Neural Networks for Materials and Chemical Dyna..:

Kulichenko, Maksim ; Smith, Justin S. ; Nebgen, Benjamin...
The Journal of Physical Chemistry Letters. 12 (2021) 26 - p. 6227-6243 , 2021

Link: https://doi.org/10.1021/..

13

Unintended consequence of topochemical reduction of SrFeO3 ..:

Ferreira, Timothy ; Acharya, Shree Ram ; Li, Ying Wai...
Physical Review Materials. 5 (2021) 12 - p. , 2021

Link: https://doi.org/10.1103/..

14

Hands-on with OWL: the Oak–Ridge Wang–Landau Monte Carlo so..:

Wai Li, Ying ; Chaitanya Pitike, Krishna ; Eisenbach, Markus.
Journal of Physics: Conference Series. 2122 (2021) 1 - p. 012001 , 2021

Link: https://doi.org/10.1088/..

15

Machine-learning-assisted insight into spin ice Dy2Ti2O7:

Samarakoon, Anjana M. ; Barros, Kipton ; Li, Ying Wai...
Nature Communications. 11 (2020) 1 - p. , 2020

Link: https://doi.org/10.1038/..