Grid‐based algorithm to search critical points, in the electron density, accelerated by graphics processing units R Hernández‐Esparza, SM Mejía‐Chica, AD Zapata‐Escobar, ...
Journal of Computational Chemistry 35 (31), 2272-2278, 2014
51 2014 GPUs as boosters to analyze scalar and vector fields in quantum chemistry R Hernández‐Esparza, Á Vázquez‐Mayagoitia, LA Soriano‐Agueda, ...
International Journal of Quantum Chemistry 119 (2), e25671, 2019
29 2019 IOData : A python library for reading, writing, and converting computational chemistry file formats and generating input filesT Verstraelen, W Adams, L Pujal, A Tehrani, BD Kelly, L Macaya, F Meng, ...
Journal of Computational Chemistry 42 (6), 458-464, 2021
21 2021 Implementation of the molecular electrostatic potential over graphics processing units JC Cruz, R Hernández-Esparza, Á Vázquez-Mayagoitia, R Vargas, ...
Journal of Chemical Information and Modeling 59 (7), 3120-3127, 2019
18 2019 Formation of small clusters of NaCl dihydrate in the gas phase JJ García, R Hernández-Esparza, R Vargas, W Tiznado, J Garza
New Journal of Chemistry 43 (11), 4342-4348, 2019
17 2019 Analyzing ZnO clusters through the density-functional theory IP Zaragoza, LA Soriano-Agueda, R Hernández-Esparza, R Vargas, ...
Journal of Molecular Modeling 24, 1-13, 2018
10 2018 Electron Density Analysis for the H R Hernández‐Esparza, B Landeros‐Rivera, R Vargas, J Garza
Annalen der Physik 531 (7), 1800476, 2019
9 2019 Oligolignols within lignin-adhesive formulations drive their Young's modulus: A ReaxFF-MD study P López-Albarrán, A Pizzi, P Navarro-Santos, R Hernández-Esparza, ...
International Journal of Adhesion and Adhesives 78, 227-233, 2017
7 2017 Characterizing off-diagonal regions of one-electron density matrix J Sandoval-Lira, M Hô, R Hernández-Esparza, JC Ramírez, ...
Theoretical Chemistry Accounts 135, 1-10, 2016
7 2016 Identification of the preferential CO and SO 2 adsorption sites within NOTT-401 M Rivera-Almazo, ML Díaz-Ramírez, R Hernández-Esparza, R Vargas, ...
Physical Chemistry Chemical Physics 23 (2), 1454-1463, 2021
6 2021 Deformations of cyclodextrins and their influence to form inclusion compounds JM Bautista‐Renedo, R Hernández‐Esparza, E Cuevas‐Yañez, ...
International Journal of Quantum Chemistry 122 (6), e26859, 2022
3 2022 NWChem and NWChemEx Plane-Wave Methods N Bylaska, Eric J and Song, Duo and Ilton, Eugene S and Bagusetty, Abhishek ...
Elsevier, 2023
1 2023 Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study O Santiago-Sosa, EA Camarillo, S García-Pineda, JM Solano-Altamirano, ...
Structural Chemistry 34 (1), 193-202, 2023
2023 Non-covalent interactions drive the Young modulus of oligolignols-cellulose complexes. P Lopez-Albarran, A Pizzi, R Herrera-Bucio, J Sánchez-Badillo, M Gallo, ...
2022 Fast evaluation of scalar and vector fields of molecular properties on modern GPU and many-core architectures A Vazquez-Mayagoitia, R Hernandez-Esparza, J Garza, R Vargas
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018 
Jorge GarzaUniversidad Autónona MetropolitanaVerified email at xanum.uam.mx
