Pablo Zubieta Rico

8PUBLICATIONS
17CO-AUTHORS
Computational chemistryChemical and thermal processes in energy and combustionStatistical mechanics in chemistrySemi- and unsupervised learningComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (8)

|Oct 01, 2026
CRANBERRY: A Coarse-grained RNA Model with Sugar Puckering and Noncanonical Base Pairing.

|Jun 12, 2025
Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) via Machine Learning and Enhanced Sampling.

Yezhi Jin, Yinan Xu, Jireh S García Sánchez

|Feb 26, 2025
Efficient sampling of free energy landscapes with functions in Sobolev spaces.

Pablo F Zubieta Rico, Gustavo R Pérez-Lemus, Juan J de Pablo

|Dec 23, 2024
The importance of sampling the dynamical modes: Reevaluating benchmarks for invariant and equivariant features of machine learning potentials for simulation of free energy landscapes.

Gustavo Perez-Lemus, Yinan Xu, Yezhi Jin

|Sep 19, 2024
A Molecular View of Methane Activation on Ni(111) through Enhanced Sampling and Machine Learning.

Yinan Xu, Yezhi Jin, Jireh S García Sánchez

|Aug 16, 2024
Improving Machine Learned Force Fields for Complex Fluids through Enhanced Sampling: A Liquid Crystal Case Study.

Yezhi Jin, Gustavo R Perez-Lemus, Pablo F Zubieta Rico

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Frequent Collaborators

6 joint publications

Juan J de Pablo

3 joint publications

Yinan Xu

2 joint publications

Luis F Elizondo-Aguilera

2 joint publications

Massimiliano Delferro