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Vargas-Hernández, Rodrigo A.
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1

Softmax parameterization of the occupation numbers for natu..:

Franco, Lizeth ; Bonfil-Rivera, Iván A. ; Huan Lew-Yee, Juan Felipe...
The Journal of Chemical Physics.  160 (2024)  24 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Fast evaluation of the adsorption energy of organic molecul..:

Pablo-García, Sergio ; Morandi, Santiago ; Vargas-Hernández, Rodrigo A....
Nature Computational Science.  3 (2023)  5 - p. 433-442 , 2023
Link: https://doi.org/10.1038/..
 
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3

Fully differentiable optimization protocols for non-equilib..:

Vargas-Hernández, Rodrigo A ; Chen, Ricky T Q ; Jung, Kenneth A.
New Journal of Physics.  23 (2021)  12 - p. 123006 , 2021
Link: https://doi.org/10.1088/..
 
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4

Multi-objective optimization for retinal photoisomerization..:

Vargas-Hernández, Rodrigo A. ; Chuang, Chern ; Brumer, Paul
The Journal of Chemical Physics.  155 (2021)  23 - p. , 2021
Link: https://doi.org/10.1063/..
 
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5

Six-dimensional potential energy surface for NaK–NaK collis..:

Christianen, Arthur ; Karman, Tijs ; Vargas-Hernández, Rodrigo A...
The Journal of Chemical Physics.  150 (2019)  6 - p. , 2019
Link: https://doi.org/10.1063/..
 
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6

Neural networks vs Gaussian process regression for represen..:

Kamath, Aditya ; Vargas-Hernández, Rodrigo A. ; Krems, Roman V...
The Journal of Chemical Physics.  148 (2018)  24 - p. , 2018
Link: https://doi.org/10.1063/..
 
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7

Extrapolating Quantum Observables with Machine Learning: In..:

Vargas-Hernández, Rodrigo A. ; Sous, John ; Berciu, Mona.
Physical Review Letters.  121 (2018)  25 - p. , 2018
Link: https://doi.org/10.1103/..
 
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8

Assessing Gaussian Process Regression and Permutationally I..:

Qu, Chen ; Yu, Qi ; Van Hoozen Jr., Brian L...
Journal of Chemical Theory and Computation.  14 (2018)  7 - p. 3381-3396 , 2018
Link: https://doi.org/10.1021/..
 
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9

Inverse molecular design and parameter optimization with Hü..:

Vargas-Hernández, Rodrigo A ; Jorner, Kjell ; Pollice, Robert.
https://research.rug.nl/en/publications/e4d48ac2-0a0c-417c-8510-9a5552fd8769.  , 2023
Link: https://hdl.handle.net/1..
 
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10

Orbital-Free Density Functional Theory with Continuous Norm..:

de Camargo, Alexandre ; Chen, Ricky T. Q ; Vargas-Hernández, Rodrigo A
http://arxiv.org/abs/2311.13518.  , 2023
Link: http://arxiv.org/abs/231..
 
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11

Modern applications of machine learning in quantum sciences:

Dawid, Anna ; Arnold, Julian ; Requena, Borja...
http://arxiv.org/abs/2204.04198.  , 2022
Link: http://arxiv.org/abs/220..
 
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12

Gaussian Processes with Spectral Delta kernel for higher ac..:

Vargas-Hernández, Rodrigo A ; Gardner, Jake R
http://arxiv.org/abs/2109.14074.  , 2021
Link: http://arxiv.org/abs/210..
 
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13

Differentiable quantum computational chemistry with PennyLa..:

Arrazola, Juan Miguel ; Jahangiri, Soran ; Delgado, Alain...
http://arxiv.org/abs/2111.09967.  , 2021
Link: http://arxiv.org/abs/211..
 
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14

Fully differentiable optimization protocols for non-equilib..:

Vargas-Hernández, Rodrigo A ; Chen, Ricky T. Q ; Jung, Kenneth A.
http://arxiv.org/abs/2103.12604.  , 2021
Link: http://arxiv.org/abs/210..
 
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15

Multi-objective optimization for retinal photoisomerization..:

Vargas-Hernández, Rodrigo A ; Chuang, Chern ; Brumer, Paul
http://arxiv.org/abs/2106.10390.  , 2021
Link: http://arxiv.org/abs/210..
 
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