Raymundo Hernández-Esparza
机构: Argonne National Lab
每年引用次数
引用次数
引用: 205
H-指数: 8
I10-指数 : 6
出版物: 16
Implementation of the Molecular Electrostatic Potential over Graphics Processing Units.
J. César Cruz , Raymundo Hernández-Esparza , Álvaro Vázquez-Mayagoitia , Rubicelia Vargas
Journal of Chemical Information and Modeling 59 ( 7) 3120 -3127
3
2019
Oligolignols within lignin-adhesive formulations drive their Young's modulus: A ReaxFF-MD study
Pablo López-Albarrán , Antonio Pizzi , Pedro Navarro-Santos , Raymundo Hernández-Esparza
International Journal of Adhesion and Adhesives 78 227 -233
4
2017
Grid-based algorithm to search critical points, in the electron density, accelerated by graphics processing units.
Raymundo Hernández-Esparza , Sol-Milena Mejía-Chica , Andy D. Zapata-Escobar , Alfredo Guevara-García
Journal of Computational Chemistry 35 ( 31) 2272 -2278
39
2014
Formation of small clusters of NaCl dihydrate in the gas phase
Juan-José García , Raymundo Hernández-Esparza , Rubicelia Vargas , William Tiznado
New Journal of Chemistry 43 ( 11) 4342 -4348
7
2019
Analyzing ZnO clusters through the density-functional theory.
Irineo-Pedro Zaragoza , Luis-Antonio Soriano-Agueda , Raymundo Hernández-Esparza , Rubicelia Vargas
Journal of Molecular Modeling 24 ( 7) 164
1
2018
Characterizing off-diagonal regions of one-electron density matrix
Jacinto Sandoval-Lira , Minhhuy Hô , Raymundo Hernández-Esparza , Juan Carlos Ramírez
Theoretical Chemistry Accounts 135 ( 6) 149
2
2016
Identification of the preferential CO and SO2 adsorption sites within NOTT-401
Marcos Rivera-Almazo , Mariana L. Díaz-Ramírez , Raymundo Hernández-Esparza , Rubicelia Vargas
Physical Chemistry Chemical Physics 23 ( 2) 1454 -1463
2021
Non-covalent interactions drive the Young modulus of oligolignols-cellulose complexes.
Pablo Lopez-Albarran , Antonio Pizzi , Rafael Herrera-Bucio , Joel Sánchez-Badillo
2022
Grid: A Python library for molecular integration, interpolation, differentiation, and more
Alireza Tehrani , Xiaotian Derrick Yang , Marco Martínez-González , Leila Pujal
The Journal of Chemical Physics 160 ( 17)
2024
Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study
Omar Santiago-Sosa , E Adriana Camarillo , Sebastián García-Pineda , J Manuel Solano-Altamirano
Structural Chemistry 34 ( 1) 193 -202
2023
Fast evaluation of scalar and vector fields of molecular properties on modern GPU and many-core architectures
Alvaro Vazquez-Mayagoitia , Raymundo Hernandez-Esparza , Jorge Garza , Rubicelia Vargas
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255
2018
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
Toon Verstraelen , William Adams , Leila Pujal , Alireza Tehrani
Journal of Computational Chemistry 42 458– 464 -458– 464
25
2020
GPUs as boosters to analyze scalar and vector fields in quantum chemistry
Raymundo Hernández‐Esparza , Álvaro Vázquez‐Mayagoitia , Luis‐Antonio Soriano‐Agueda , Rubicelia Vargas
International Journal of Quantum Chemistry 119 ( 2)
10
2019
Electron Density Analysis for the H2+ System Confined by Hard Walls: The Chemical Bond Under Extreme Conditions
Raymundo Hernández‐Esparza , Bruno Landeros‐Rivera , Rubicelia Vargas , Jorge Garza
Annalen der Physik 531 ( 7) 1800476
2
2019
Deformations of cyclodextrins and their influence to form inclusion compounds
Joanatan‐Michael Bautista‐Renedo , Raymundo Hernández‐Esparza , Erick Cuevas‐Yañez , Horacio Reyes‐Pérez
International Journal of Quantum Chemistry 122 ( 6) e26859 -e26859
3
2022
NWChem and NWChemEx plane-wave methods
Eric J Bylaska , Duo Song , Eugene S Ilton , Abhishek Bagusetty
Elsevier
1
2023