Related papers: Efficient on-shell matching
Traditional approaches for validating molecular simulations rely on making software open source and transparent, incorporating unit testing, and generally employing human oversight. We propose an approach that eliminates software errors…
We begin with a brief overview of lattice calculations using chiral effective field theory and some recent applications. We then describe several methods for computing scattering on the lattice. After that we focus on the main goal,…
Effective Lagrangians, including those that are spontaneously broken, contain redundant terms. It is shown that the classical equations of motion may be used to simplify the effective Lagrangian, even when quantum loops are to be…
A recent development on the working of effective field theories in nuclei and in dense hadronic matter is discussed. We consider two extreme regimes: One, dilute regime for which fluctuations are made on top of the matter-free vacuum; two,…
All-electron calculations play an important role in density functional theory, in which improving computational efficiency is one of the most needed and challenging tasks. In the model formulations, both nonlinear eigenvalue problem and…
Current Lagrangian (particle-tracking) algorithms used to simulate diffusion-reaction equations must employ a certain number of particles to properly emulate the system dynamics---particularly for imperfectly-mixed systems. The number of…
Numerical simulations are essential for evaluating the performance and safety of geological engineered systems such as geologic carbon storage sites, enhanced geothermal fields, and oil and gas reservoirs. A key challenge lies in accurately…
Taking into account the negative searches for New Physics at the LHC, electroweak effective theories are appropriate to deal with current energies. Tracks of new, higher scales can be studied through next-to leading order corrections of the…
In recent years, reduced basis methods (RBMs) have been adapted to the many-body eigenvalue problem and they have been used, largely in nuclear physics, as fast emulators able to bypass expensive direct computations while still providing…
In recent years, significant advances have been made in the design and analysis of fully dynamic maximal matching algorithms. However, these theoretical results have received very little attention from the practical perspective. Few of the…
Despite recent advances in protein-ligand structure prediction, deep learning methods remain limited in their ability to accurately predict binding affinities, particularly for novel protein targets dissimilar from the training set. In…
In the present work, we consider multi-scale computation and convergence for nonlinear time-dependent thermo-mechanical equations of inhomogeneous shells possessing temperature-dependent material properties and orthogonal periodic…
In this work, we focus on the family of shell formulations referred to as "solid shells", where the simulation of shell-type structures is performed by means of a mesh of 3D solid elements, with typically only one element through the…
We obtain simple formulas for the matrix elements of the resolvent operator (the Green's function) in any finite set of square integrable basis. These formulas are suitable for numerical computations whether the basis elements are…
For an accurate description of electromagneto-thermomechanical systems, electromagnetic fields need to be described in a Eulerian frame, whereby the thermomechanics is solved in a Lagrangean frame. It is possible to map the Eulerian frame…
Explicit time integration schemes coupled with Galerkin discretizations of time-dependent partial differential equations require solving a linear system with the mass matrix at each time step. For applications in structural dynamics, the…
For a high temperature non-Abelian plasma, we reformulate the hard thermal loop approximation as an effective classical thermal field theory for the soft modes. The effective theory is written in local Hamiltonian form, and the thermal…
Elastic filaments are vital to biological, physical and engineering systems, from cilia driving fluid in the lungs to artificial swimmers and micro-robotics. Simulating slender structures requires intricate balance of elastic, body, active,…
This article investigates the modeling and control of Lagrangian systems involving non-conservative forces using a hybrid method that does not require acceleration calculations. It focuses in particular on the derivation and identification…
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the…