Related papers: Force calculation and atomic-structure optimizatio…
Numerical simulations based on electronic structure calculations are finding ever growing applications in many areas of physics. A major limiting factor is however the cubic scaling of the algorithms used. Building on previous work [F. R.…
The scalar wave equation is solved using higher order immersed finite elements. We demonstrate that higher order convergence can be obtained. Small cuts with the background mesh are stabilized by adding penalty terms to the weak…
We present a new hybrid quantum-classical algorithm for optimizing unitary coupled-cluster (UCC) wave functions deemed the projective quantum eigensolver (PQE), amenable to near-term noisy quantum hardware. Contrary to variational quantum…
From a detailed analysis of cone-jet cross sections in effective field theory, we obtain novel factorization theorems which separate the physics associated with different energy scales present in such processes. The relevant low-energy…
High accuracy calculations of atomic properties require using long basis sets. In particular, it is necessary to include large number of partial waves and estimate truncation corrections. The convergence in partial waves is known to be…
The gravitational waves emitted by binary systems with extreme-mass ratios carry unique astrophysical information that can only be detected by space-based detectors like eLISA. To that end, a very accurate modelling of the system is…
With the recent success of representation learning methods, which includes deep learning as a special case, there has been considerable interest in developing techniques that incorporate known physical constraints into the learned…
PDE-constrained optimization problems are often treated using the reduced formulation where the PDE constraints are eliminated. This approach is known to be more computationally feasible than other alternatives at large scales. However, the…
Second-order gravitational self-force theory has recently led to the breakthrough calculation of ``first post-adiabatic'' (1PA) compact-binary waveforms [Phys. Rev. Lett. 130, 241402 (2023)]. The computations underlying those waveforms…
To calculate nonlinear transport of space charge dominated beam in 6D phase spaces, a computer code package LEADS-v5 (Linear and Electrostatic Accelerator Dynamics Simulations) has been developed. The codes calculate particle motions in the…
This paper introduces multidimensional algorithms for simulating multiphase flows, leveraging the wave structure of the Euler equations in characteristic space and the physical properties of variables in physical space. The algorithm…
The evaluation of quantum corrections in the theory of the electroweak and strong interactions via higher-order Feynman diagrams requires complicated and laborious calculations, which however can be structured in a strictly algorithmic way.…
Mixed discrete-continuous optimization is central to engineering design, where discrete choices interact with continuous fields. These problems are difficult due to high-dimensional, complex search spaces. To tackle them, Quantum Annealing…
The augmented plane wave method uses the Rayleigh-Ritz principle for basis functions that are continuous but with discontinuous derivatives and the kinetic energy is written as a pair of gradients rather than as a Laplacian. It is shown…
Quantum computing exploits basic quantum phenomena such as state superposition and entanglement to perform computations. The Quantum Approximate Optimization Algorithm (QAOA) is arguably one of the leading quantum algorithms that can…
We propose a polymer quantization scheme to derive the effective propagation of gravitational waves on a classical Friedmann-Lemaitre-Robertson-Walker (FLRW) spacetime. These waves, which may originate from a high energy source, are a…
Algorithms for the fast and exact computation of Wigner matrices are described and their application to a fast and massively parallel 4pi convolution code between a beam and a sky is also presented.
Available laser technology is opening the possibility of testing QED experimentally in the so-called strong-field regime. This calls for developing theoretical tools to investigate strong-field QED processes in electromagnetic fields of…
We consider the numerical solution of partial differential equations with coefficients that are strongly heterogeneous in space. We provide an overview of higher-order localized orthogonal decomposition (LOD) methods for the elliptic…
We revisit the three-body problem in quantum mechanics in two and three dimensions, generating both exact eigenvalues and eigenvectors of the Hamiltonian and a series of approximate solutions as calculated with a variety of different…