70 citations · 169 across the 14 of their papers we have counts for
14 papers
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
Viviane Torres da Silva, Alexandre Rademaker, Krystelle Lionti +12
Automated knowledge extraction from scientific literature can potentially accelerate materials discovery. We have investigated an approach for extracting synthesis protocols for re…
Prediction of Adsorption in Nano-Pores with Graph Neural Networks
Guojing Cong, Anshul Gupta, Rodrigo Neumann +3
We investigate the graph-based convolutional neural network approach for predicting and ranking gas adsorption properties of crystalline Metal-Organic Framework (MOF) adsorbents fo…
AI powered, automated discovery of polymer membranes for carbon capture
Ronaldo Giro, Hsianghan Hsu, Akihiro Kishimoto +6
The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to effic…
High accuracy capillary network representation in digital rock reveals permeability scaling functions
Rodrigo F. Neumann, Mariane Barsi-Andreeta, Everton Lucas-Oliveira +4
Permeability is the key parameter for quantifying fluid flow in porous rocks. Knowledge of the spatial distribution of the connected pore space allows, in principle, to predict the…
Effects of additives on oil displacement in nanocapillaries: a mesoscale simulation study
Guilherme C. Q. da Silva, Ronaldo Giro, Bruno A. C. Horta +3
We performed mesoscale simulations in order to investigate the effects that additives, such as surfactants and polymers, have in the oil displacement process by water and brine inj…
A metric for wettability at the nanoscale
Ronaldo Giro, Peter W. Bryant, Michael Engel +2
Wettability is the affinity of a liquid for a solid surface. For energetic reasons, macroscopic drops of liquid are nearly spherical away from interfaces with solids, and any local…
A platform for analysis of nanoscale liquids with an integrated sensor array based on 2-d material
M. Engel, P. W. Bryant, R. F. Neumann +4
Analysis of nanoscale liquids, including wetting and flow phenomena, is a scientific challenge with far reaching implications for industrial technologies. We report the conception,…
Two dimensional, electronic particle tracking in liquids with a graphene-based magnetic sensor array
R. F. Neumann, M. Engel, M. Steiner
The investigation of liquid flow at the nanoscale is a key area of applied research with high relevance to Physics, Chemistry and Biology. We introduce a method and a device that a…
Fluid dynamics in porous media with Sailfish
Rodrigo C. V. Coelho, Rodrigo F. Neumann
In this work we show the application of Sailfish to the study of fluid dynamics in porous media. Sailfish is an open-source software based on the lattice-Boltzmann method. This app…
Tailoring the nucleation of domain walls along multi-segmented cylindrical nanoelements
R. F. Neumann, M. Bahiana, S. Allende +3
The magnetization reversal of three-segment cylindrical nanoelements comprising of alternating nanowire and nanotube sections is investigated by means of Monte Carlo simulations. S…
Quantitative PIV Measurements of Velocity Profiles
P. W. Bryant, R. F. Neumann, M. J. B. Moura +3
In Microscopic Particle Image Velocimetry (PIV), velocity fields in microchannels are sampled over finite volumes within which the velocity fields themselves may vary significan…
Magnetic properties of La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunctions: chemically abrupt versus atomic intermixed interface
R. F. Neumann, M. Bahiana, N. Binggeli
Using first-principles density-functional calculations, we address the magnetic properties of the ferromagnet/antiferromagnet La(0.67)Sr(0.33)MnO3/BiFeO3(001) heterojunctions, and…
Morphology and magnetism of multifunctional nanostructured -FeO films: Simulation and experiments
R. F. Neumann, M. Bahiana, L. G. Paterno +4
This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3…
Stability of magnetic nanoparticles inside ferromagnetic nanotubes
R. F. Neumann, M. Bahiana, J. Escrig +3
During the last years great attention has been given to the encapsulation of magnetic nanoparticles. In this work we investigated the stability of small magnetic particles inside m…