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Adaptive construction of ansatz circuits offers a promising route towards applicable variational quantum eigensolvers on near-term quantum hardware. Those algorithms aim to build up optimal circuits for a certain problem and ansatz circuits…

In this paper a library for spin--angular integration in LS-coupling for many-electron atoms is presented. The software is an implementation of a methodology based on the second quantization in coupled tensorial form, the angular momentum…

The Landau collision integral is often considered the gold standard in the context of kinetic plasma simulation due to its conservative properties, despite challenges involved in its discretization. The primary challenge when implementing…

In this paper we propose an accurate, and computationally efficient method for incorporating adaptive spatial resolution into weakly-compressible Smoothed Particle Hydrodynamics (SPH) schemes. Particles are adaptively split and merged in an…

A cutting-edge software is presented to tackle the Newton-Euler equations governing the dynamics of granular flows and dense suspensions in Newtonian fluids. In particular, we propose an implementation of a fixed-radius near neighbours…

Studying single-particle dynamics over many periods of oscillations is a well-understood problem solved using symplectic integration. Such integration schemes derive their update sequence from an approximate Hamiltonian, guaranteeing that…

We present formulations of effective potentials suitable for approximating general relativistic effects in Newtonian simulations of core-collapse supernovae. Assuming a spherically symmetric spacetime and a stress-energy tensor that…

This work develops and analyzes a variational-monolithic unfitted finite element formulation of a linear fluid-structure interaction problem in Eulerian coordinates with a fixed interface. The overall discretization is based on a backward…

We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…

Particle based optimization algorithms have recently been developed as sampling methods that iteratively update a set of particles to approximate a target distribution. In particular Stein variational gradient descent has gained attention…

Kinetic Particle In Cell (PIC) methods can extend greatly their range of applicability if implicit time differencing and spatial adaption are used to address the wide range of time and length scales typical of plasmas. For implicit…

We present a novel implementation of an iterative solver for the solution of the Poisson equation in the PLUTO code for astrophysical fluid dynamics. Our solver relies on a relaxation method in which convergence is sought as the…

We present an algorithm to include the correlation between the production and decay planes of gluons in a parton-shower simulation. The technique is based on identifying the charge currents responsible for the creation and annihilation of…

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

While quantum computing proposes promising solutions to computational problems not accessible with classical approaches, due to current hardware constraints, most quantum algorithms are not yet capable of computing systems of practical…

We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated electronic structure of large systems in both quantum…

We study the settling of suspensions of relatively large particles with a diameter of the order of ten Kolmogorov scales and density slightly larger than the carrier fluid in statistically steady homogeneous isotropic turbulence. The…

The water entry of solid and liquid bodies has been studied for over a century, and various researchers have classified the different behaviors that occur when the gas-filled cavity collapses. Although four main cavity collapse regimes have…

In this paper, we derive the general formulation by considering two arbitrary plane symmetric spacetimes using Israel's method. As an example, we apply this formulation to known plane symmetric spacetimes. We take the Taub's static metric…

We present a blueprint for building a fault-tolerant quantum computer using the spin states of electrons on the surface of liquid helium. We propose to use ferromagnetic micropillars to trap single electrons on top of them and to generate a…