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Within the ultimate goal of classifying universality in quantum many-body dynamics, understanding the relation between out-of-equilibrium and equilibrium criticality is a crucial objective. Models with power-law interactions exhibit rich well-understood cr ...
Tailoring solid surfaces attracts a number of technological and scientific interest with numerous applications. One method to modify a solid surface is via the formation of a molecular film. The adsorbed molecules assemble spontaneously (self assemble) for ...
Jammed, disordered packings of given sets of particles possess a multitude of equilibrium states with different mechanical properties. Identifying and constructing desired states, e.g., of superior stability, is a complex task. Here, we show that in two-di ...
Ratchet transport systems are widespread in physics and biology; however, the effect of the dispersing medium in the collective dynamics of these out-of-equilibrium systems has been often overlooked. We show that, in a traveling wave magnetic ratchet, long ...
The stabilities and speciation of the halamines in water are difficult to characterize experimentally. We provide theoretical estimates of aqueous standard free energies of formation for inorganic chloramines, bromamines, and bromochloramines, based on hig ...
A transient thermal regime is achieved in glassy GeTe4 by first-principles molecular dynamics following the recently proposed ''approach-to-equilibrium'' methodology. The temporal and spatial evolution of the temperature do comply with the time-dependent s ...
In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...
Experiments were conducted using the X2 expansion tube at two conditions representative of flight velocities of 10.0 km/s and 12.2 km/s for a vehicle entry into Earth's atmosphere. Calibrated spectral measurements were made of radiating shock layers ac ...
Aqueous electrophilic reactions are broadly important in environmental chemistry, but the thermodynamic equilibrium constants, rate constants, and mechanisms describing these reactions are often difficult to determine by experiment. Here we report on our e ...
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equili ...
