Daniel Peláez

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 12

Top Topics

Network Analysis

Machine Learning

Molecular Dynamics

Energy Transfer

Top Venues

Journal of computational chemistry

The journal of physical chemistry letters

Chemphyschem : a European journal of chemical physics and physical chemistry

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Ramón L Panadés-Barrueta, Denis Duflot, Juan Soto, Emilio Martínez-Núñez, Daniel Peláez
Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Kanishka Singh, Ka Hei Lee, Daniel Peláez, Annika Bande
Accelerating wavepacket propagation with machine learning. Journal of computational chemistry 45 (28) (2024)
Kanishka Singh, Ka Hei Lee, Daniel Peláez, Annika Bande
Accelerating wavepacket propagation with machine learning. Journal of computational chemistry (2024)
Ramón L Panadés-Barrueta, Denis Duflot, Juan Soto, Emilio Martínez-Núñez, Daniel Peláez
Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (10) (2024)
Kanishka Singh, Ka Hei Lee, Daniel Peláez, Annika Bande
Accelerating wavepacket propagation with machine learning. Journal of computational chemistry 45 (28) (2024)
Daniel H Cruz Neto, Juan Soto, Nishith Maity, Christophe Lefumeux, Thai Nguyen, Pascal Pernot, Karine Steenkeste, Daniel Peláez, Minh-Huong Ha-Thi, Thomas Pino
A Novel Pump-Pump-Probe Resonance Raman Approach Featuring Light-Induced Charge Accumulation on a Model Photosystem. The journal of physical chemistry letters (2023)
Nataša Nadoveza, Ramón L Panadés-Barrueta, Lei Shi, Fabien Gatti, Daniel Peláez
Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR). The Journal of chemical physics 158 (11) (2023)
Juan Soto, Daniel Peláez, Manuel Algarra
CASPT2 study of the electronic structure and photochemistry of protonated N-nitrosodimethylamine (NDMA-H+) at 453 nm. The Journal of chemical physics 158 (20) (2023)
Johan F Triana, Daniel Peláez, Majdi Hochlaf, José Luis Sanz-Vicario
Ultrafast CO 2 photodissociation in the energy region of the lowest Rydberg series. Physical chemistry chemical physics : PCCP 24 (22) (2022)
Qingfei Song, Xingyu Zhang, Daniel Peláez, Qingyong Meng
Direct Canonical-Polyadic-Decomposition of the Potential Energy Surface from Discrete Data by Decoupled Gaussian Process Regression. The journal of physical chemistry letters 13 (48) (2022)
Hugo Geindre, Abdul-Rahman Allouche, Daniel Peláez
Non long-range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons. Journal of computational chemistry 42 (14) (2021)
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 Vazquez
AutoMeKin2021: An open-source program for automated reaction discovery. Journal of computational chemistry 42 (28) (2021)