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We perform high-order simulations of two-phase flows in capillaries, with and without evaporation. Since a sharp-interface model is used, singularities can arise at the three-phase contact line, where the fluid-fluid interface interacts…
In this paper, we present an immersed weak Galerkin method for solving second-order elliptic interface problems. The proposed method does not require the meshes to be aligned with the interface. Consequently, uniform Cartesian meshes can be…
In recent years, the embedding approach for solving switched optimal control problems has been developed in a series of papers. However, the embedding approach, which advantageously converts the hybrid optimal control problem to a classical…
The coupled-channel technique augments a non-relativistic distorted wave born approximation scattering calculation to include a coupling to virtual states from the negative energy region. It has been found to be important in low energy…
Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei... As progress in the design of inter-nucleon interactions is made, further efforts must be made to tailor many-body methods.…
Model merging has emerged as a cost-efficient approximation to multitask learning. Among merging strategies, task arithmetic is notable for its simplicity and effectiveness. In this work, we provide a theoretical motivation for task vectors…
We are interested in the approximation of a steady hyperbolic problem. In some cases, the solution can satisfy an additional conservation relation, at least when it is smooth. This is the case of an entropy. In this paper, we show, starting…
We consider a 1D periodic atomistic model, for which we formulate and analyze an adaptive variant of a quasicontinuum method. We establish a posteriori error estimates for the energy norm and for the energy, based on a posteriori residual…
The dynamic behavior of jointed assemblies exhibiting friction nonlinearities features amplitude-dependent dissipation and stiffness. To develop numerical simulations for predictive and design purposes, macro-scale High Fidelity Models…
We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…
We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…
In this work we develop an a posteriori error analysis of a conforming mixed finite element method for solving the coupled problem arising in the interaction between a free fluid and a fluid in a poroelastic medium on isotropic meshes in…
We present a compatible space-time hybridizable/embedded discontinuous Galerkin discretization for nonlinear free-surface waves. We pose this problem in a two-fluid (liquid and gas) domain and use a time-dependent level-set function to…
In experimental control of quantum systems, the precision is often hindered by imperfect applied electronics that distort control pulses delivered to target quantum devices. To mitigate such error, the deconvolution method is commonly used…
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…
Model merging combines fine-tuned checkpoints into a single multi-task model without retraining. Existing methods - such as task arithmetic, model soups, TIES, and DARE - are computationally efficient and empirically successful, but rely on…
We present a domain decomposition formulation based on hybridization which is inspired by hybridized discontinuous Galerkin (HDG) methods, that enhance mixed domain decomposition methods by incorporating stabilization terms. Unlike…
Anderson mixing (AM) is a classical method that can accelerate fixed-point iterations by exploring historical information. Despite the successful application of AM in scientific computing, the theoretical properties of AM are still under…
We present a systematic framework for shortening and automating molecular dynamics equilibration through improved position initialization methods and uncertainty quantification analysis, using the Yukawa one-component plasma as an exemplar…
Offline camera calibration techniques typically employ parametric or generic camera models. Selecting parametric models relies heavily on user experience, and an inappropriate camera model can significantly affect calibration accuracy.…