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2020 – today
- 2024
[j4]Kanishka Singh
, Ka Hei Lee, Daniel Peláez, Annika Bande:
Accelerating wavepacket propagation with machine learning. J. Comput. Chem. 45(28): 2360-2373 (2024)- 2021
- [j3]Hugo Geindre, Abdul-Rahman Allouche, Daniel Peláez:
Non long-range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons. J. Comput. Chem. 42(14): 1018-1027 (2021) - [j2]Emilio Martínez-Núñez, George L. Barnes, David R. Glowacki, Sabine Kopec, Daniel Peláez, Aurelio Rodríguez, Roberto Rodríguez-Fernández, Robin J. Shannon, James J. P. Stewart, Pablo G. Tahoces, Saulo A. Vázquez:
AutoMeKin2021: An open-source program for automated reaction discovery. J. Comput. Chem. 42(28): 2036-2048 (2021) - 2020
- [i1]Gaétan Laurens, Malalatiana Rabary, Julien Lam, Daniel Peláez, Abdul-Rahman Allouche:
Infrared spectra of neutral polycyclic aromatic hydrocarbons by machine learning. CoRR abs/2010.13686 (2020)
2010 – 2019
- 2016
- [j1]Praphasiri Dolbundalchok, Daniel Peláez, Emad F. Aziz, Annika Bande:
Geometrical control of the interatomic coulombic decay process in quantum dots for infrared photodetectors. J. Comput. Chem. 37(25): 2249-2259 (2016) - 2013
- [p1]Markus Schröder, Daniel Peláez, Hans-Dieter Meyer:
Numerical Studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxide Anion Using MCTDH. High Performance Computing in Science and Engineering 2013: 201-218
Coauthor Index
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