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Results of search for 'au:"Vargas-Hernández, Rodrigo A"'
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Berciu, Mona
Bowman, Joel M
Carrington, Tucker
Christianen, Arthur
Groenenboom, Gerrit C
Kamath, Aditya
Karman, Tijs
Krems, Roman V
Manzhos, Sergei
Qu, Chen
Sous, John
Van Hoozen, Brian L
Vargas-Hernández, Rodrigo A
Yu, Qi
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1.
Extrapolating Quantum Observables with Machine Learning: Inferring Multiple Phase Transitions from Properties of a Single Phase.
[electronic resource]
by
Vargas-Hernández, Rodrigo A
Sous, John
Berciu, Mona
Krems, Roman V
Producer:
20190110
In:
Physical review letters
vol. 121
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2.
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy.
[electronic resource]
by
Kamath, Aditya
Vargas-Hernández, Rodrigo A
Krems, Roman V
Carrington, Tucker
Manzhos, Sergei
Producer:
20180702
In:
The Journal of chemical physics
vol. 148
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3.
Six-dimensional potential energy surface for NaK-NaK collisions: Gaussian process representation with correct asymptotic form.
[electronic resource]
by
Christianen, Arthur
Karman, Tijs
Vargas-Hernández, Rodrigo A
Groenenboom, Gerrit C
Krems, Roman V
Producer:
20190226
In:
The Journal of chemical physics
vol. 150
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Available from publisher's website
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4.
Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches To Represent High-Dimensional Potential Energy Surfaces.
[electronic resource]
by
Qu, Chen
Yu, Qi
Van Hoozen, Brian L
Bowman, Joel M
Vargas-Hernández, Rodrigo A
Producer:
20180710
In:
Journal of chemical theory and computation
vol. 14
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