Pablo del Mazo‐Sevillano

activity

20232026

most citedVariational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional

15 citations · 20 across the 4 of their papers we have counts for

collaborators

4 papers

physics.chem-ph2026★ 1 cited

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH $_{2}^{+}$

Pablo del Mazo-Sevillano, Susana Gomez-Carrasco, Alfredo Aguado +1

Tracking the complex non-adiabatic transitions in far-ultraviolet photodissociation demands highly accurate diabatic potential energy matrices (PEMs) across numerous excited states…

astro-ph.SR2024

Quantum study of the CH $_{3}^{+}$ photodissociation in full dimension Neural Networks potential energy surfaces

Pablo del Mazo-Sevillano, Alfredo Aguado, Javier R. Goicoechea +1

CH $_{3}^{+}$ , a cornerstone intermediate in interstellar chemistry, has recently been detected for the first time by the James Webb Space Telescope. The photodissociation of this ion i…

physics.chem-ph2023★ 15 cited

Variational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional

P. del Mazo-Sevillano, J. Hermann

Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy o…

physics.chem-ph2023★ 4 cited

Vibrational, non-adiabatic and isotopic effects in the dynamics of the H $_{2}$ + H $_{2}^{+}$ $\to$ H $_{3}^{+}$ + H reaction: application to plasma modeling

P. del Mazo-Sevillano, D. Félix-González, A. Aguado +3

The title reaction is studied using a quasi-classical trajectory method for collision energies between 0.1 meV and 10 eV, considering the vibrational excitation of H $_{2}^{+}$ reactant…

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH2+​

Quantum study of the CH3+​ photodissociation in full dimension Neural Networks potential energy surfaces

Variational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional

Vibrational, non-adiabatic and isotopic effects in the dynamics of the H2​ + H2+​ → H3+​ + H reaction: application to plasma modeling

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH $_{2}^{+}$

Quantum study of the CH $_{3}^{+}$ photodissociation in full dimension Neural Networks potential energy surfaces

Vibrational, non-adiabatic and isotopic effects in the dynamics of the H $_{2}$ + H $_{2}^{+}$ $\to$ H $_{3}^{+}$ + H reaction: application to plasma modeling