相关论文: Atomistic-Continuum Coupling by Homogenization
Electron shuttling is emerging as a key enabler of scalable silicon spin-qubit quantum computing, but fidelities are limited by atomistic disorder. We introduce a multiscale simulation framework combining time-dependent finite-element…
Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…
We treat control of several two-level atoms interacting with one mode of the electromagnetic field in a cavity. This provides a useful model to study pertinent aspects of quantum control in infinite dimensions via the emergence of…
In this work we investigate the transient solidification of a Lennard-Jones liquid using non-equilibrium molecular dynamics simulations and continuum heat transfer theory. The simulations are performed in slab-shaped boxes, where a cold…
Multiscale simulations facilitate the efficient exploration of large spatiotemporal scales in chemical and physical systems, yet particle-based simulations become prohibitively expensive at time and length scales beyond the molecular level.…
The 2-dimensional U(1) gauge-Higgs model with a topological term is a simple example of a lattice field theory where the complex action problem comes from the topological term. We show that the model can be exactly rewritten in terms of…
In part I and II of this series of papers all elements have been introduced to extend, to two loops, the set of renormalization procedures which are needed in describing the properties of a spontaneously broken gauge theory. In this paper,…
We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…
We propose a two-scale finite element method designed for heterogeneous microstructures. Our approach exploits domain diffeomorphisms between the microscopic structures to gain computational efficiency. By using a conveniently constructed…
New equations governing the scale transformation behaviors of a QFT with underlying structures are derived. These equations, with their several equivalent versions, can yield some new and significant insights and results that are difficult…
We investigate nuclear matter on a cubic lattice. An exact thermal formalism is applied to nucleons with a Hamiltonian that accommodates on-site and next-neighbor parts of the central, spin- and isospin-exchange interactions. We describe…
A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic…
We study the integrability of a two-dimensional Hamiltonian system with a gyroscopic term and a non-homogeneous potential composed of two homogeneous components of different degrees. The model describes the motion of a particle in a plane…
A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and…
Our theoretical examination of second and third harmonic generation from metal-based nanostructures predicts that nonlocal and quantum tunneling phenomena can significantly exceed expectations based solely on local, classical…
In this paper, we develop the notion of the linear atomic quantum coupler. This device consists of two modes propagating into two waveguides, each of them includes a localized and/or a trapped atom. These waveguides are placed close enough…
We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Ortner and Van Koten (manuscript) to derive optimal…
Quantum simulations of many-body systems offer novel methods for probing the dynamics of the Standard Model and its constituent gauge theories. Extracting low-energy predictions from such simulations rely on formulating…
We establish the a-priori convergence rate for finite element approximations of a class of nonlocal nonlinear fracture models. We consider state based peridynamic models where the force at a material point is due to both the strain between…
Using two innovations, smooth, but distinctly different, scaling laws for the numerical reconnection of pairs of initially orthogonal and anti-parallel quantum vortices are obtained using the three-dimensional Gross-Pitaevskii equations,…