Rodrigo A Vargas-Hernández

5PUBLICATIONS
13CO-AUTHORS
Bioinformatic methods developmentProgramming languagesTheoretical quantum chemistryStatistical mechanics in chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (5)

|Jan 21, 2026
Bayesian Optimization for High-Dimensional Coarse-Grained Model Parameterization: A Case Study on Pebax Polymer.

Carlos A Martins, Daniela A Damasceno, Keat Yung Hue

|Feb 28, 2025
MOLPIPx: An end-to-end differentiable package for permutationally invariant polynomials in Python and Rust.

Manuel S Drehwald, Asma Jamali, Rodrigo A Vargas-Hernández

|Jun 26, 2024
Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches.

Lizeth Franco, Iván A Bonfil-Rivera, Juan Felipe Huan Lew-Yee

|Mar 15, 2023
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation.

Rodrigo A Vargas-Hernández, Kjell Jorner, Robert Pollice

|Apr 28, 2020
Bayesian Optimization for Calibrating and Selecting Hybrid-Density Functional Models.

R A Vargas Hernández

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Frequent Collaborators

1 joint publications

Kjell Jorner

1 joint publications

Robert Pollice

1 joint publications

Lizeth Franco

1 joint publications

Iván A Bonfil-Rivera