42 citations · 111 across the 4 of their papers we have counts for
4 papers
Computational analysis of transport in three-dimensional heterogeneous materials
Gianluca Boccardo, Eleonora Crevacore, Alberto Passalacqua +1
Porous and heterogeneous materials are found in many applications from composites, membranes, chemical reactors, and other engineered materials to biological matter and natural sub…
Semantic interoperability and characterization of data provenance in computational molecular engineering
M. T. Horsch, C. Niethammer, G. Boccardo +11
By introducing a common representational system for metadata that describe the employed simulation workflows, diverse sources of data and platforms in computational molecular engin…
A second order scheme for a Robin boundary condition in random walk algorithms
Gianluca Boccardo, Igor M. Sokolov, Amir Paster
Random Walk (RW) is a common numerical tool for modeling the Advection-Diffusion equation. In this work, we develop a second order scheme for incorporating a heterogeneous reaction…
A robust upscaling of the effective particle deposition rate in porous media
Gianluca Boccardo, Eleonora Crevacore, Rajandrea Sethi +1
In the upscaling from pore- to continuum (Darcy) scale, reaction and deposition phenomena at the solid-liquid interface of a porous medium have to be represented by macroscopic rea…