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Physical Review Letters
|
March 17, 2011
Role of disorder and anharmonicity in the thermal conductivity of silicon-germanium alloys: a first-principles study
Jivtesh Garg, Nicola Bonini, Boris Kozinsky, et al.
Npj Computational Materials
|
April 21, 2025
Atomistic simulations of out-of-equilibrium quantum nuclear dynamics
Francesco Libbi, Anders Johansson, Lorenzo Monacelli, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2018
Factors affecting cyclic durability of all-solid-state lithium batteries using poly(ethylene oxide)-based polymer electrolytes and recommendations to achieve improved performance
Francesco Faglioni, Boris V Merinov, William A Goddard, et al.
Nature Communications
|
May 6, 2024
Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields
Cameron J Owen, Yu Xie, Anders Johansson, et al.
Physical Review Letters
|
July 23, 2021
Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport
Nicola Molinari, Yu Xie, Ian Leifer, et al.
Nature Communications
|
September 2, 2022
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt
Jonathan Vandermause, Yu Xie, Jin Soo Lim, et al.
The Journal of Physical Chemistry Letters
|
February 23, 2021
Latent Representation Learning for Structural Characterization of Catalysts
Prahlad K Routh, Yang Liu, Nicholas Marcella, et al.
Journal of Chemical Theory and Computation
|
March 11, 2022
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Lixin Sun, Jonathan Vandermause, Simon Batzner, et al.
Nano Letters
|
November 29, 2019
Fundamental Limits to the Electrochemical Impedance Stability of Dielectric Elastomers in Bioelectronics
Paul Le Floch, Nicola Molinari, Kewang Nan, et al.
Nature Communications
|
February 3, 2023
Learning local equivariant representations for large-scale atomistic dynamics
Albert Musaelian, Simon Batzner, Anders Johansson, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 44) with videos related to
Sort By:
Page
of 5
Physical Review Letters
|
March 17, 2011
Role of disorder and anharmonicity in the thermal conductivity of silicon-germanium alloys: a first-principles study
Jivtesh Garg, Nicola Bonini, Boris Kozinsky, et al.
Npj Computational Materials
|
April 21, 2025
Atomistic simulations of out-of-equilibrium quantum nuclear dynamics
Francesco Libbi, Anders Johansson, Lorenzo Monacelli, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2018
Factors affecting cyclic durability of all-solid-state lithium batteries using poly(ethylene oxide)-based polymer electrolytes and recommendations to achieve improved performance
Francesco Faglioni, Boris V Merinov, William A Goddard, et al.
Nature Communications
|
May 6, 2024
Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields
Cameron J Owen, Yu Xie, Anders Johansson, et al.
Physical Review Letters
|
July 23, 2021
Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport
Nicola Molinari, Yu Xie, Ian Leifer, et al.
Nature Communications
|
September 2, 2022
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt
Jonathan Vandermause, Yu Xie, Jin Soo Lim, et al.
The Journal of Physical Chemistry Letters
|
February 23, 2021
Latent Representation Learning for Structural Characterization of Catalysts
Prahlad K Routh, Yang Liu, Nicholas Marcella, et al.
Journal of Chemical Theory and Computation
|
March 11, 2022
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Lixin Sun, Jonathan Vandermause, Simon Batzner, et al.
Nano Letters
|
November 29, 2019
Fundamental Limits to the Electrochemical Impedance Stability of Dielectric Elastomers in Bioelectronics
Paul Le Floch, Nicola Molinari, Kewang Nan, et al.
Nature Communications
|
February 3, 2023
Learning local equivariant representations for large-scale atomistic dynamics
Albert Musaelian, Simon Batzner, Anders Johansson, et al.
Page
of 5