We review studies of vibrational energy transfer in a molecular junction geometry, consisting
of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup …

We review a theory for coupled many-nonlinear oscillator systems that describes quantum
ergodicity and energy flow in molecules. The theory exploits the isomorphism between …

Energy transport in molecules is essential for many areas of science and technology. Strong
covalent bonds of a molecular backbone can facilitate the involvement of the molecule's …

Energy transport during chemical reactions or following photoexcitation in systems of
biological molecules is mediated by numerous interfaces that separate chemical groups and …

Computational studies of vibrational energy flow in biomolecules have to date mapped out
transport pathways on a case-by-case basis. To provide a more general approach, we …

Molecular dynamics simulations of the homodimeric hemoglobin from Scapharca
inaequivalvis (HbI) have been carried out to examine relations between rates of vibrational …

Vibrational excitation transfer along the hydrogen-bond-mediated pathways in the complex
of methyl acetate (MA) and 4-cyanophenol (4CP) was studied by dual-frequency …

Here a comprehensive survey of the literature in the area of numerical heat transfer (NHT)
published in 2010 and 2011 has been conducted. Due to the immenseness of the literature …

Energy transport in molecules is essential for many areas of science and technology. Strong
covalent bonds of a molecular backbone can facilitate the involvement of the molecule's …

In this work, three major topics are investigated. The decarbonylation of
diphenylcyclopropenone from its second excited electronic state forms the first part. This …