Related papers: Scalable Nuclear Density Functional Theory with Sk…
Multi-dimensional Fourier transforms are key mathematical building blocks that appear in a wide range of applications from materials science, physics, chemistry and even machine learning. Over the past years, a multitude of software…
Ascertaining the core-collapse supernova mechanism is a complex, and yet unsolved, problem dependent on the interaction of general relativity, hydrodynamics, neutrino transport, neutrino-matter interactions, and nuclear equations of state…
This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…
The growing computational demands of artificial intelligence (AI) are challenging conventional electronics, making photonic computing a promising alternative. However, existing photonic architectures face fundamental scalability and…
Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…
The silicon nanowire transistor (SNWT) is a promising device structure for future integrated circuits, and simulations will be important for understanding its device physics and assessing its ultimate performance limits. In this work, we…
We present results from a series of cosmological SPH (smoothed particle hydrodynamics) simulations coupled with the P3M (Particle-Particle-Particle-Mesh) solver for the gravitational force. The simulations are designed to predict the…
High-resolution (HR) simulations in cosmology, in particular when including baryons, can take millions of CPU hours. On the other hand, low-resolution (LR) dark matter simulations of the same cosmological volume use minimal computing…
Numerical solution of reaction-diffusion equations in three dimensions is one of the most challenging applied mathematical problems. Since these simulations are very time consuming, any ideas and strategies aiming at the reduction of CPU…
Magnetic nano-skyrmions develop quantized helicity excitations, and the quantum tunneling between nano-skyrmions possessing distinct helicities is indicative of the quantum nature of these particles. Experimental methods capable of…
While the recent demonstration of accurate computations of classically intractable simulations on noisy quantum processors brings quantum advantage closer, there is still the challenge of demonstrating it for practical problems. Here we…
The numerical simulation of turbulence in stars has led to a rich set of possibilities regarding stellar pulsations, asteroseismology, thermonuclear yields, and formation of neutron stars and black holes. The breaking of symmetry by…
A numerical method is presented for first-principle simulations of charged colloidal dispersions in electrolyte solutions. Utilizing a smoothed profile for colloid-solvent boundaries, efficient mesoscopic simulations are enabled for…
The main goal of the present contribution is a pedagogical introduction to the fascinating world of neutron stars by relying on relativistic density functional theory. Density functional theory provides a powerful--and perhaps…
The predominance of Kohn-Sham density functional theory (KS-DFT) for the theoretical treatment of large experimentally relevant systems in molecular chemistry and materials science relies primarily on the existence of efficient software…
Linear-scaling techniques for Kohn-Sham density functional theory (KS-DFT) are essential to describe the ground state properties of extended systems. Still, these techniques often rely on the locality of the density matrix or on accurate…
In this paper, the space complexity of nonuniform quantum computations is investigated. The model chosen for this are quantum branching programs, which provide a graphic description of sequential quantum algorithms. In the first part of the…
CELES is a freely available MATLAB toolbox to simulate light scattering by many spherical particles. Aiming at high computational performance, CELES leverages block-diagonal preconditioning, a lookup-table approach to evaluate costly…
We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…
The fundamental particle theory called Quantum Chromodynamics (QCD) dictates everything about protons and neutrons, from their intrinsic properties to interactions that bind them into atomic nuclei. Quantities that cannot be fully resolved…