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Investigation of the photochemistry of the poly{p-phenylenevinylene} precursor system: Implications for nanolithography

The synthesis, stability and shrinkage of hollow nanoparticles: an overview

Thermotransport in binary system: case study on Ni50Al50 melt

Molecular dynamics study of density, surface energy and self-diffusion in a liquid Ni₅₀Al₅₀ alloy

Modelling of the formation of Pd-Ni alloy nanoparticles by interdiffusion

Decomposition model for phonon thermal conductivity of a monatomic lattice

New functional Lennard-Jones parameters for heterogeneous molecules

Cluster model of the structural organization of amorphous iron

Molecular dynamics study of phonon-mediated thermal transport in a Ni₅₀Al₅₀ melt: case analysis of the influence of the process on the kinetics of solidification

Ionic and thermal conductivity of pure and doped ceria by molecular dynamics

Determination of the lattice thermal conductivity of the TiO2 polymorphs rutile and anatase by molecular dynamics simulation

Insight into lattice thermal impedance via equilibrium molecular dynamics: case study on Al

Atomistic modeling of diffusion in the TiAl compound

Reaction of a Ni-coated Al nanoparticle to form B2-NiAl: a molecular dynamics study

Molecular dynamics simulation of alloying in an Al-coated Ti nanoparticle

Atomic mechanism of carbon diffusion in cementite

Molecular dynamics determination of the time-temperature-transformation diagram for crystallization of an undercooled liquid Ni₅₀Al₅₀ alloy

Structure change of the Cu₆₄Zr₃₆ metallic glass in the conditions of uniaxial deformation

Influence of the interatomic potential on thermotransport in binary liquid alloys: case study on NiAl

Binding of chlorinated phenylacrylonitriles to the aryl hydrocarbon receptor: computational docking and molecular dynamics simulations

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