Ontology alignment plays a key role for information interconnectivity between computational systems relying on ontologies described in different natural languages. Existing approaches for ontology matching
In two-component metallic systems, thermodynamic immiscibility leads to phase separation such as in two-phase eutectic compositional alloys. The limit of the immiscibility of component elements
High-fidelity simulations are performed to study active flow control techniques for alleviating deep dynamic stall of an SD7003 airfoil in plunging motion. The flow Reynolds
The use of adhesive bonding in the industry has been increasing significantly in recent years, especially in technical applications, e.g., bonded repairs and doublers in
In this work, 27 new quinoline-derivative dyes were proposed, and their geometries, electronic structures, and absorption spectra were investigated using density functional theory (DFT) calculations.
Joining different parts is one of the crucial components of designing/engineering of materials. Presently, the current energy efficient low weight automotive and aerospace components consist
We report a detailed study through fully atomistic molecular dynamics simulations and DFT calculations on the mechanical properties of protomene. Protomene is a new carbon
Rafael Alcides Vicente, undergraduate student performing research under the supervision of Prof. Leandro Martínez, won the Best Theoretical Chemistry Poster Award at the 42nd Annual
Invasive opportunistic fungal infections and antifungal drug resistance prompt the investigation of the underlying molecular mechanisms of the inhibition of the triazole drugs. The target
We present a numerical methodology for construction of reduced-order models (ROMs) of fluid flows through the combination of flow modal decomposition and regression analysis. Spectral