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An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…
Despite the fundamental importance of solid--solid transitions for metallurgy, ceramics, earth science, reconfigurable materials, and colloidal matter, the details of how materials transform between two solid structures are poorly…
We present first-principles total-energy electronic-structure calculations that provide the microscopic mechanism of the adatom interchange reaction on the Sn- and Pb-covered Ge(111)-(2x8) and the Sb-covered Si(111)-(7x7) surfaces with and…
Spin-electronic devices are poised to become part of mainstream microelectronic technology .Downsizing them, however, faces the intrinsic difficulty that as ferromagnets become smaller, it becomes more difficult to stabilize their magnetic…
Many-body electron interactions are at the heart of chemistry and solid-state physics. Understanding these interactions is crucial for the development of molecular-scale quantum and nanoelectronic devices. Here, we investigate…
The emerging field of ultracold molecules with their rich internal structure is currently attracting a lot of interest. Various methods have been developed to produce ultracold molecules in pre-set quantum states. For future experiments it…
We formulate the configurational partition function for dendrimers, taking explicit account of their conformations and segmental interactions. Two approximate schemes are presented, one based on the effective dendrimer-dendrimer…
Photo-induced switching between collective quantum states of matter is a fascinating rising field with exciting opportunities for novel technologies. Presently very intensively studied examples in this regard are nanometer-thick single…
Light-induced phase transitions offer a method to dynamically modulate topological states in bulk complex materials. Yet, next-generation devices demand nanoscale architectures with contact resistances near the quantum limit and precise…
We show that, under certain conditions, the micromaser can act as an effective source of highly correlated atoms. It is possible to create an extended robust entanglement between two successive, initially unentangled atoms passing through a…
Excitons in transition metal dichalcogenides (TMDs) have emerged as a promising platform for novel applications ranging from optoelectronic devices to quantum optics and solid state quantum simulators. While much progress has been made…
This paper studies an input-driven one-state differential equation model initially developed for an experimentally demonstrated dynamic molecular switch that switches like synapses in the brain do. The linear-in-the-state and…
We study the phase transition between a trivial and a time-reversal-invariant topological superconductor in a single-band system. By analyzing the interplay of symmetry, topology and energetics, we show that for a generic normal state band…
Friction between ordered, atomically smooth surfaces at the nanoscale (nanofriction) is often governed by stick-slip processes. To test long-standing atomistic models of such processes, we implement a synthetic nanofriction interface…
Multi-soliton mode-locked laser waveforms are much sought as a complex light source for research and applications, but are difficult to manipulate effectively because of the elaborate and diverse interactions present. Here we present an…
This chapter gives an introduction to qualitative and quantitative topological analyses of molecular electronic transitions. Among the possibilities for qualitatively describing how the electronic structure of a molecule is reorganized upon…
Topological edge states are recently attracting intense interest due to their robustness in the presence of disorder and defects. However, most approaches for manipulating such states require global modulations of the system's Hamiltonian.…
Combining strong electron correlations [1-4] and nontrivial electronic topology [5] holds great promise for discovery. So far, this regime has been rarely accessed and systematic studies are much needed to advance the field. Here we…
We proposed a scheme to realize a controlled-NOT quantum logic gate in a dimer of exchange coupled single-molecule magnets, $[\textrm{Mn}_4]_2$. We chosen the ground state and the three low-lying excited states of a dimer in a finite…
We have measured a graphene double quantum dot device with multiple electrostatic gates that are used to enhance control to investigate it. At low temperatures the transport measurements reveal honeycomb charge stability diagrams which can…