Raymundo Hernández‐Esparza

Grid‐based algorithm to search critical points, in the electron density, accelerated by graphics processing units

Raymundo Hernández‐Esparza, Andy D. Zapata‐Escobar, Alfredo Guevara‐García et al. · Journal of Computational Chemistry · 2014 · 71 citations

Computing, Computer Science, High-performance Computing +17

<scp>IOData</scp>: A python library for reading, writing, and converting computational chemistry file formats and generating input files

Toon Verstraelen, William Adams, Leila Pujal et al. · Journal of Computational Chemistry · 2020 · 48 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +11

GPUs as boosters to analyze scalar and vector fields in quantum chemistry

Raymundo Hernández‐Esparza, Álvaro Vázquez‐Mayagoitia, Luis Soriano‐Agueda et al. · International Journal of Quantum Chemistry · 2018 · 46 citations · Full text

Computing, Chemistry, High-performance Computing +16

Implementation of the Molecular Electrostatic Potential over Graphics Processing Units

Julio César Cruz, Raymundo Hernández‐Esparza, Álvaro Vázquez‐Mayagoitia et al. · Journal of Chemical Information and Modeling · 2019 · 32 citations

Natural Sciences, Chemistry, High-performance Computing +15

Formation of small clusters of NaCl dihydrate in the gas phase

Juan-José García, Raymundo Hernández‐Esparza, Rubicelia Vargas et al. · New Journal of Chemistry · 2019 · 24 citations

Natural Sciences, Biochemistry, Chemistry +17