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Aberration-corrected environmental transmission electron microscopy (ETEM) enables atomic-resolution imaging of dynamic catalytic processes. Correlating atomic-scale structural changes with reaction products detected by mass spectrometry…
Recently developed electronic pre-resonance stimulated Raman scattering (epr-SRS) microscopy, in which the Raman signal of a dye is significantly boosted by setting the incident laser frequency near the electronic excitation energy, has…
Precise alignment of the electron beam is critical for successful application of scanning transmission electron microscopes (STEM) to understanding materials at atomic level. Despite the success of aberration correctors, aberration…
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a…
The search for variation of the fundamental constants such as the fine structure constant $\alpha$ ($\alpha=e^2/\hbar c$) and the ratios of fundamental masses (e.g., electron to proton mass ratio $\mu=m_e/m_p$) is reviewed. Strong emphasis…
We review the problem of spin decoherence of magnetic atoms deposited on a surface. Recent breakthroughs in scanning tunnelling microscopy (STM) make it possible to probe the spin dynamics of individual atoms, either isolated or integrated…
The great success of point defects and dopants in semiconductors for quantum information processing has invigorated a search for molecules with analogous properties. Flexibility and tunability of desired properties in a large chemical space…
A promising platform for quantum information processing is that of silicon impurities, where the quantum states are manipulated by magnetic resonance. Such systems, in abstraction, can be considered as a nucleus of arbitrary spin coupled to…
Scanning Transmission Electron Microscopy (STEM) has become the main stay for materials characterization on atomic level, with applications ranging from visualization of localized and extended defects to mapping order parameter fields. In…
Koopmans spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is achieved by augmenting standard density functionals with simple…
The molecular dynamics (MD) simulation technique has been widely used in complex systems, but the accessible time scale is limited due to the requirement of small integration timesteps. Here, we propose a novel method, named Exploratory…
The loss of information about the relative phase between two quantum states, known as decoherence, strongly limits resolution in electron paramagnetic spectroscopy and hampers the use of molecules for quantum information processing. At low…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
The synergy between free electrons and light has recently been leveraged to reach an impressive degree of simultaneous spatial and spectral resolution, enabling applications in microscopy and quantum optics. However, the required…
We study spin-1/2 fermions in spin dependent potentials under the \emph{spin model approximation}, in which interatomic collisions that change the total occupation of single-particle modes are ignored. The spin model approximation maps the…
The structure and dynamics of a molecular system is governed by its potential energy surface (PES), representing the total energy as a function of the nuclear coordinates. Obtaining accurate potential energy surfaces is limited by the…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
We propose a method to perform precision measurements of the interaction parameters in systems of N ultra-cold spin 1/2 atoms. The spectroscopy is realized by first creating a coherent spin superposition of the two relevant internal states…
Nuclear spins in solids offer a promising avenue for developing scalable quantum hardware. Leveraging nearby single-color centers, these spins can be efficiently addressed at the single-site level through spin resonance. However,…
The main obstacle to coherent control of two-level quantum systems is their coupling to an uncontrolled environment. For electron spins in III-V quantum dots, the random environment is mostly given by the nuclear spins in the quantum dot…