Related papers: FindBounce: package for multi-field bounce actions
We calculate the equation of state of neutron matter at zero temperature by means of the auxiliary field diffusion Monte Carlo method (AFDMC) combined with a fixed-phase approximation. The calculation of the energy is carried out by…
We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
Linear algebraic primitives are at the core of many modern algorithms in engineering, science, and machine learning. Hence, accelerating these primitives with novel computing hardware would have tremendous economic impact. Quantum computing…
A numerical procedure was developed for solving equations for compressible granular multiphase flows in which the particle volume fraction can range dynamically from very dilute to very dense. The procedure uses a low-dissipation and…
The behavior of neutrinos is the only phenomenon that cannot be explained by the standard model of particle physics. Because of these mysterious neutrino interactions observed in nature, at present, there is growing interest in this field…
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt with quantum…
We study the decay rate of a false vacuum in gauge theory at the one-loop level. We pay particular attention to the case where the bounce consists of an arbitrary number of scalar fields. With a multi-field bounce, which has a curved…
The sign problem in numerical calculations of the QCD Euclidean space path integral of QCD with a chemical potential vanishes if the chemical potential is imaginary. Moreover, calculations of the partition function with imaginary chemical…
We present a new approach to the study of equilibrium properties in many-body quantum physics. Our method takes inspiration from Density Matrix Quantum Monte Carlo and incorporates new crucial features. First of all, the dynamics is…
We develop a broadly-applicable computational method for the automatic exploration of the bimolecular multi-reaction mechanism. The current methodology mainly involves the high-energy Born-Oppenheimer molecular dynamics (BOMD) simulation…
Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…
The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible,…
We develop a new real-time approach to vacuum decay based on a reduction to a finite number of degrees of freedom. The dynamics is followed by solving a generalized Schr\"odinger equation. We first apply this method to a real scalar field…
A new lattice method is presented in order to efficiently solve the electrokinetic equations, which describe the structure and dynamics of the charge cloud and the flow field surrounding a single charged colloidal sphere, or a fixed array…
Particle methods are less computationally efficient than grid based numerical solution of the Navier Stokes equation. However, they have important advantages including rigorous mass conservation, momentum conservation and isotropy. In…
Tracking calculations of charged particles in electromagnetic fields require in principle the simultaneous solution of the equation of motion and of Maxwell's equations. In many tracking codes a simpler and more efficient approach is used:…
A novel approach to account for hard-body interactions in (overdamped) Brownian dynamics simulations is proposed for systems with non-vanishing force fields. The scheme exploits the analytically known transition probability for a Brownian…
We devote this paper to the issue of existence of pulsating travelling front solutions for spatially periodic heterogeneous reaction-diffusion equations in arbitrary dimension, in both bistable and more general multistable frameworks. In…
Cold atoms in optical lattices are a versatile and highly controllable platform for quantum simulation, capable of realizing a broad family of Hubbard models, and allowing site-resolved readout via quantum gas microscopes. In principle,…