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Updated: May 7, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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goChem: A Composable Library for Multi-Scale Computational Chemistry Data Analysis

Moisés Domínguez1, Verónica A Jiménez2, Gökcen Savasci3

  • 1Departmento de Ciencias del Ambiente, Facultad de Química y Biología, Universidad de Santiago de Chile (USACH), Santiago, Chile.

Journal of Computational Chemistry
|January 11, 2025
PubMed

Keywords:
computational chemistrydata analysismolecular dynamicssoftware

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