| Variational density fitting with a Krylov subspace method JN Pedroza-Montero, JL Morales, G Geudtner, A Álvarez-Ibarra, ... Journal of Chemical Theory and Computation 16 (5), 2965-2974, 2020 | 19 | 2020 |
| Regression machine learning models used to predict DFT-computed NMR parameters of zeolites R Gaumard, D Dragún, JN Pedroza-Montero, B Alonso, H Guesmi, ... Computation 10 (5), 74, 2022 | 12 | 2022 |
| Reliability and performances of real-time time-dependent auxiliary density functional theory R Tandiana, C Clavaguéra, K Hasnaoui, JN Pedroza-Montero, ... Theoretical Chemistry Accounts 140 (9), 126, 2021 | 11 | 2021 |
| Self-Consistent Auxiliary Density Perturbation Theory FA Delesma, RI Delgado-Venegas, DR Salahub, JM Del Campo, ... Journal of Chemical Theory and Computation 17 (11), 6934-6946, 2021 | 6 | 2021 |
| Static and dynamic polarizabilities of oligothiophenes JN Pedroza-Montero, FA Delesma, RI Delgado-Venegas, P Calaminici, ... Theoretical Chemistry Accounts 135, 1-9, 2016 | 6 | 2016 |
| A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations PA Martínez, T Vock, LR Kharchi, JN Pedroza-Montero, X Wu, K Hasnaoui, ... Computer Physics Communications 295, 108946, 2024 | 5 | 2024 |
| Variational fitting of the Fock exchange potential with modified Cholesky decomposition JN Pedroza-Montero, FA Delesma, JL Morales, P Calaminici, AM Köster The Journal of Chemical Physics 153 (13), 2020 | 5 | 2020 |
| Current status of deMon2k for the investigation of the early stages of matter irradiation by time-dependent DFT approaches KA Omar, FA Korsaye, R Tandiana, D Tolu, J Deviers, X Wu, A Parise, ... The European Physical Journal Special Topics 232 (13), 2167-2193, 2023 | 4 | 2023 |
| Pd8 Cluster: Too Small to Melt? A BOMD Study A Luna-Valenzuela, JN Pedroza-Montero, AM Köster, P Calaminici, ... The Journal of Physical Chemistry A 128 (3), 572-580, 2024 | 2 | 2024 |
| On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes JN Pedroza-Montero, IL Garzón, HE Sauceda Communications Chemistry 4 (103), 8, 2021 | 2 | 2021 |
| Study of fluorescent nanodiamonds concentrations in aqueous solutions for biological applications FA Pedroza-Montero, JN Pedroza-Montero, O Álvarez-Bajo, ... Optical Materials 140, 113872, 2023 | 1 | 2023 |
| Electronic structure simulations in the cloud computing environment EJ Bylaska, A Panyala, NP Bauman, B Peng, H Pathak, ... The Journal of Chemical Physics 161 (15), 2024 | | 2024 |
| Size evolution of characteristic acoustic oscillations of fullerenes and its connection to continuum elasticity theory JN Pedroza-Montero, IL Garzón, HE Sauceda Eur. Phys. J. D 76, 123, 2022 | | 2022 |
| First-principle polarizabilities of nanosystems from auxiliary density perturbation theory with MINRES JN Pedroza-Montero, P Calaminici, AM Köster Theoretical Chemistry Accounts 141 (2), 7, 2022 | | 2022 |
| Iterative density fitting for ab initio nanoscale simulations= Ajuste iterativo de la densidad para simulaciones ab initio en nanoescala JN Pedroza Montero Tesis (DC)--Centro de Investigación y de Estudios Avanzados del IPN Programa …, 2020 | | 2020 |
