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Advances in the modeling and simulation of NTPs using OpenFOAM and OpenModelica

Alessandro Scolaro, Thomas Arthur Louis Joseph Guilbaud, Giovanni Nervi
2025
Conference Papers

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Alessandro Scolaro, Thomas Arthur Louis Joseph Guilbaud, Giovanni Nervi
2025
Conference Papers

Official source

Related publications (11)

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Related publications (11)

Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis

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The focus of this short review is directed towards investigations of the dynamics of nanostructured metallic heterogeneous catalysts and the evolution of interfaces during reaction-namely, the metal-gas, metal-liquid, and metal-support interfaces. Indeed, ...

MDPI2022

Recent Advances in First-Principles Based Molecular Dynamics

Ursula Röthlisberger, Justin Villard, François Louis Mouvet, Viacheslav Bolnykh

First-principles molecular dynamics (FPMD) and its quantum mechanical-molecular mechanical (QM/MM) extensions are powerful tools to follow the real-time dynamics of a broad variety of systems in their ground as well as electronically excited states. The co ...

American Chemical Society2022

Atomistic modeling of the solid-liquid interface of metals and alloys

Edoardo Baldi

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

EPFL2020