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Chemisorption of CO on the stepped Cu(211) surface is studied within ab-initio density functional theory (DFT) and scanning tunneling microscopy (STM) imaging as well as manipulation experiments. Theoretically we focus on the experimentally…
We review work by the authors on thermal activation in nanoscopic magnetic systems. These systems present unique difficulties in analyzing noise-induced escape over a barrier, including the presence of nonlocal interactions, nongradient…
A series of laboratory experiments has been carried out in a thermally driven rotating annulus to study the onset of baroclinic instability, using horizontal and uniformly sloping bottom topographies. Different wave flow regimes have been…
Molecular transistors have the potential for switching with lower gate voltages than conventional field-effect transistors. We have calculated the performance of a single-molecule device in which there is interference between electron…
Configurational entropy is an important factor in the free energy change of many macromolecular recognition and binding processes, and has been intensively studied. Despite great progresses that have been made, the global sampling remains…
We numerically examine the properties of a two-dimensional system of particles which have competing long range repulsive and short range attractive interactions as a function of density and temperature. For increasing density, there are…
We show how to construct non-equilibrium thermodynamics for systems too small to be considered thermodynamically in a traditional sense. Through the use of a non-equilibrium ensemble of many replicas of the system which can be viewed as a…
We present an advanced scanning probe microscopy system enhanced with artificial intelligence (AI-SPM) designed for self-driving atomic-scale measurements. This system expertly identifies and manipulates atomic positions with high…
We study the steady state of a stochastic particle system on a two-dimensional lattice, with particle influx, diffusion and desorption, and the formation of a dimer when particles meet. Surface processes are thermally activated, with…
Using collision driven discrete molecular dynamics (DMD), we investigate the thermodynamics and dynamics of systems of 500 dumbbell molecules interacting by a purely repulsive ramp-like discretized potential, consisting of $n$ steps of…
Thermodynamic probes can be used to deduce microscopic internal dynamics of nanoscale quantum systems. Several direct entropy measurement protocols based on charge transport measurements have been proposed and experimentally applied to…
The annealing treatment in the advanced manufacturing process, e.g., laser-assisted manufacturing, determines the final state of glasses which is critical to its thermal, electrical and mechanical properties. Energy barriers analysis based…
We develop a self-contained theoretical framework that classifies the topological phases and critical phenomena of classical pyrochlore magnets with arbitrary spin $S$, subject to competing exchange and single-ion anisotropies. In the…
We present an eigenmode following method (EMF) that has been developed for the numerical scanning of the potential energy surface and the direct calculation of entropy and pre-exponential factors of Arrhenius-like transition rates in the…
When interacting spin systems possess non-zero magnetization or topological entanglement entropy below the transition temperature, they often serve as classical or quantum self-correcting memory. In particular, their memory time grows…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
Entropy effects substantially modify the growth of self-assembled Ge nanostructures on vicinal Si (001) surfaces. As shown by variable temperature scanning tunneling microscopy, this leads to new types of one dimensional nanostructures that…
Due to their remarkable properties, systems that exhibit self-organization of their components resulting from intrinsic microscopic activity have been extensively studied in the last two decades. In a generic class of active matter, the…
Thin electrodes of magnetic tunnel junctions can show superparamagnetism at surprisingly low temperature. We analysed their thermally induced switching for varying temperature, magnetic and electric field. Although the dwell times follow an…
In this letter, we present the unified paradigm on entropy-ruled Einstein diffusion-mobility relation ({\mu}/D ratio) for all dimensional systems (1D, 2D and 3D) of molecules and materials. The different dimension-associated fractional…