Mario Piris

16PUBLICATIONS
19CO-AUTHORS
Theoretical quantum chemistryComputational chemistryDegenerate quantum gases and atom opticsReaction kinetics and dynamicsElectrical and electromagnetic methods in geophysics
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Publications (16)

|Mar 06, 2026
5- and 6-Membered Rings: A Natural Orbital Functional Study.

Ion Mitxelena, Juan Felipe Huan Lew-Yee, Mario Piris

|Feb 18, 2026
DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals.

Juan Felipe Huan Lew-Yee, Ion Mitxelena, Jorge M Del Campo

|Feb 21, 2025
Efficient Energy Measurement of Chemical Systems via One-Particle Reduced Density Matrix: A NOF-VQE Approach for Optimized Sampling.

Juan Felipe Huan Lew-Yee, Mario Piris

|Nov 28, 2024
Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical Simulations.

Mario Piris, Xabier Lopez, Jesus M Ugalde

|Oct 18, 2024
Exploring the potential of natural orbital functionals.

Mario Piris

|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

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Frequent Collaborators

6 joint publications

Juan Felipe Huan Lew-Yee

5 joint publications

Jorge M Del Campo

4 joint publications

Ion Mitxelena

2 joint publications

Iván Alejandro Bonfil-Rivera