Related papers: Computational Design Rules for Helical Aromatic Fo…
This work collects the spin-dependent leading-order relativistic and quantum-electrodynamical corrections for the electronic structure of atoms and molecules within the non-relativistic quantum electrodynamics framework. We report the…
Artificial micro and nano machines have been envisioned and demonstrated as potential candidates for variety of applications, ranging from targeted drug or gene delivery, cell manipulation, environmental sensing and many more. Here, we…
Phoretic colloids self-propel thanks to surface flows generated in response to surface gradients (thermal, electrical, or chemical), that are self-induced and/or generated by other particles. Here we present a scalable and versatile…
We study the properties of a nano-electromechanical system in the coherent regime, where the electronic and vibrational time scales are of the same order. Employing a master equation approach, we obtain the stationary reduced density matrix…
A new optimized quasihelically symmetric configuration is described that has the desir-able properties of improved energetic particle confinement, reduced turbulent transportby 3D shaping, and non-resonant divertor capabilities. The…
Symplectic integrators offer vastly superior performance over traditional numerical techniques for conservative dynamical systems, but their application to \emph{dissipative} systems is inherently difficult due to dissipative systems' lack…
We analyze the stability of stationary solutions of a singular Vlasov type hydrodynamic equation (HE). This equation was derived (under suitable assumptions) as the hydrodynamical scaling limit of the Hamiltonian evolution of a system…
Soft electronics have recently gathered considerable interest thanks to their bio-mechanical compatibility. An important feature of such deformable conductors is their electrical response to strain. While development of stretchable…
Flexible piezoelectric devices made of polymeric materials are widely used for micro- and nano-electro-mechanical systems. In particular, numerous recent applications concern energy harvesting. Due to the importance of computational…
Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows…
Elastic properties and internal states of isotropic sphere packings are studied by numerical simulations. Several numerical protocols to assemble dense configurations are compared. One, which imitates experiments with lubricated contacts,…
We study the stability of a vector field associated to a nearly-integrable Hamiltonian dynamical system to which a dissipation is added. Such a system is governed by two parameters, named the perturbing and dissipative parameters, and it…
Realization of devices based on quantum laws might lead to building processors that outperform their classical analogues and establishing unconditionally secure communication protocols. Solids do usually present a serious challenge to…
We calculate experimentally measurable signatures of quantum correlations in a coupled molecular dimer that strongly interacts with its vibrational environment. We investigate intensity and mode-resolved photon coincidences for different…
This paper is concerned with the robust design for a class of switching systems from a fractional order control (FOC) perspective. In particular, the tuning of the robust fractional order PI (RFPI) controller is proposed based on phase…
We detail the application of bounding volume hierarchies to accelerate second-virial evaluations for arbitrary complex particles interacting through hard and soft finite-range potentials. This procedure, based on the construction of…
The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…
Quantum-selected configuration interaction (QSCI) is an approach for quantum chemical calculations using current quantum computers. In conventional QSCI, Slater determinants used for the wave function expansion are sampled by iteratively…
Characteristic modes of a spherical shell are found analytically as spherical harmonics normalized to radiate unitary power and to fulfill specific boundary conditions. The presented closed-form formulas lead to a proposal of precise…
The postulate of the existence of a jamming phase diagram (Liu and Nagel, Nature 396, 21 EP (1998aa)) provides a theoretical basis for the classification of a wide range of amorphous solids (colloidal, molecular and emulsion glasses,…