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The Journal of Physical Chemistry. A|April 28, 2020
Bayesian Optimization for Calibrating and Selecting Hybrid-Density Functional ModelsR A Vargas Hernández
The Journal of Chemical Physics|December 23, 2021
Multi-objective optimization for retinal photoisomerization models with respect to experimental observablesRodrigo A Vargas-Hernández, Chern Chuang, Paul Brumer
The Journal of Chemical Physics|February 28, 2025
MOLPIPx: An end-to-end differentiable package for permutationally invariant polynomials in Python and RustManuel S Drehwald, Asma Jamali, Rodrigo A Vargas-Hernández
Physical Review Letters|January 5, 2019
Extrapolating Quantum Observables with Machine Learning: Inferring Multiple Phase Transitions from Properties of a Single PhaseRodrigo A Vargas-Hernández, John Sous, Mona Berciu, et al.
The Journal of Chemical Physics|March 15, 2023
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiationRodrigo A Vargas-Hernández, Kjell Jorner, Robert Pollice, et al.
The Journal of Chemical Physics|July 2, 2018
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracyAditya Kamath, Rodrigo A Vargas-Hernández, Roman V Krems, et al.
Hematology, Transfusion and Cell Therapy|February 10, 2023
Differences in the distribution of hemoglobin variants according to the geographic regions in a Colombian populationDiego A Vargas-Hernández, Adriana Catalina Uscategui-Ruiz, Juliette De Avila, et al.
The Journal of Chemical Physics|February 17, 2019
Six-dimensional potential energy surface for NaK-NaK collisions: Gaussian process representation with correct asymptotic formArthur Christianen, Tijs Karman, Rodrigo A Vargas-Hernández, et al.
European Heart Journal. Case Reports|March 6, 2026
Recurrent myocarditis as a clinical gateway to desmoplakin cardiomyopathy: a case reportRaul Eduardo Reyes T, Diego A Vargas-Hernández, Diana Pilar Cañón, et al.
Mediterranean Journal of Hematology and Infectious Diseases|March 13, 2023
Sickle Cell Trait, Clinical Manifestations and Outcomes: A Cross-Sectional Study in Colombia: Increasing Rate of Symptomatic Subjects Living in High AltitudeDiego A Vargas-Hernández, Adriana Catalina Uscategui-Ruiz, Andrés Jesus Prada-Rueda, et al.
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