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Nature Communications
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April 29, 2025
Model-free estimation of completeness, uncertainties, and outliers in atomistic machine learning using information theory
Daniel Schwalbe-Koda, Sebastien Hamel, Babak Sadigh, et al.
Journal of Chemical Information and Modeling
|
August 26, 2024
Ice Phase Classification Made Easy with Score-Based Denoising
Hong Sun, Sebastien Hamel, Tim Hsu, et al.
Physical Review Letters
|
February 7, 2007
First-passage Monte Carlo algorithm: diffusion without all the hops
Tomas Opplestrup, Vasily V Bulatov, George H Gilmer, et al.
Physical Review. E
|
February 17, 2023
Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics
Mandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.
The Journal of Chemical Physics
|
March 4, 2005
Adaptive importance sampling Monte Carlo simulation of rare transition events
Maurice de Koning, Wei Cai, Babak Sadigh, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
April 7, 2010
First-passage kinetic Monte Carlo method
Tomas Oppelstrup, Vasily V Bulatov, Aleksandar Donev, et al.
Patterns (New York, N.Y.)
|
May 26, 2021
Self-supervised learning and prediction of microstructure evolution with convolutional recurrent neural networks
Kaiqi Yang, Yifan Cao, Youtian Zhang, et al.
The Journal of Chemical Physics
|
January 16, 2022
Accurate parameterization of the kinetic energy functional for calculations using exact-exchange
Shashikant Kumar, Babak Sadigh, Siya Zhu, et al.
Physical Review Letters
|
October 27, 2018
Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit
Philip C Myint, Alexander A Chernov, Babak Sadigh, et al.
The Journal of Chemical Physics
|
January 16, 2022
Accurate parameterization of the kinetic energy functional
Shashikant Kumar, Edgar Landinez Borda, Babak Sadigh, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 23) with videos related to
Sort By:
Page
of 3
Nature Communications
|
April 29, 2025
Model-free estimation of completeness, uncertainties, and outliers in atomistic machine learning using information theory
Daniel Schwalbe-Koda, Sebastien Hamel, Babak Sadigh, et al.
Journal of Chemical Information and Modeling
|
August 26, 2024
Ice Phase Classification Made Easy with Score-Based Denoising
Hong Sun, Sebastien Hamel, Tim Hsu, et al.
Physical Review Letters
|
February 7, 2007
First-passage Monte Carlo algorithm: diffusion without all the hops
Tomas Opplestrup, Vasily V Bulatov, George H Gilmer, et al.
Physical Review. E
|
February 17, 2023
Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics
Mandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.
The Journal of Chemical Physics
|
March 4, 2005
Adaptive importance sampling Monte Carlo simulation of rare transition events
Maurice de Koning, Wei Cai, Babak Sadigh, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
April 7, 2010
First-passage kinetic Monte Carlo method
Tomas Oppelstrup, Vasily V Bulatov, Aleksandar Donev, et al.
Patterns (New York, N.Y.)
|
May 26, 2021
Self-supervised learning and prediction of microstructure evolution with convolutional recurrent neural networks
Kaiqi Yang, Yifan Cao, Youtian Zhang, et al.
The Journal of Chemical Physics
|
January 16, 2022
Accurate parameterization of the kinetic energy functional for calculations using exact-exchange
Shashikant Kumar, Babak Sadigh, Siya Zhu, et al.
Physical Review Letters
|
October 27, 2018
Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit
Philip C Myint, Alexander A Chernov, Babak Sadigh, et al.
The Journal of Chemical Physics
|
January 16, 2022
Accurate parameterization of the kinetic energy functional
Shashikant Kumar, Edgar Landinez Borda, Babak Sadigh, et al.
Page
of 3