相关论文: Application of the Direct Microscopic Formalism to…
To ensure frequency security in power systems, both the rate of change of frequency (RoCoF) and the frequency nadir (FN) must be explicitly accounted for in real-time frequency-constrained optimal power flow (FCOPF). However, accurately…
The Fast Multipole Method (FMM) computes pairwise interactions between particles with an efficiency that scales linearly with the number of particles. The method works by grouping particles based on their spatial distribution and…
The neutron emission rates in thermal excited nuclei are conventionally described by statistical models with a phenomenological level density parameter that depends on excitation energies, deformations and mass regions. In the microscopic…
Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport…
Providing highly simplified models of strongly correlated electronic systems that challenge {\it ab initio} calculations can serve as a valuable testing ground to improve these methods. In this study, we present a comprehensive study of the…
Fission resulting from collision of atomic nuclei is systematically investigated based on time-dependent density functional calculations. Time-dependent density functional theory (TDDFT) is a framework, which enables us to treat quantum…
Time-dependent, predictive simulations were performed with the 1.5D tokamak integrated modeling code TRANSP on a large set of well-analyzed, high performing discharges from the National Spherical Torus Experiment (NSTX) in order to evaluate…
Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…
The hot rotating nuclei could be formed in the complete and incomplete fusion reaction of two heavy ions. At low bombarding energies the reaction goes via compound nucleus formation and subsequent evaporation of charged particles, neutrons…
Dimensionality reduction in mechanical vibratory systems poses challenges for distributed structures including geometric nonlinearities, mainly because of the lack of invariance of the linear subspaces. A reduction method based on direct…
With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…
Electromagnetic interactions serve as essential probes for studying and testing our understanding of the atomic nucleus, as they reveal emergent properties across the nuclear chart. We analyse their corresponding observables, which relate…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…
Within the concept of the dinuclear system (DNS), a dynamical model is proposed for describing the formation of superheavy nuclei in complete fusion reactions by incorporating the coupling of the relative motion to the nucleon transfer…
DFT calculations have become widespread in both chemistry and materials, because they usually provide useful accuracy at much lower computational cost than wavefunction-based methods. All practical DFT calculations require an approximation…
We introduce DiFfRG (Discretisation Framework for functional Renormalisation Group flows), a comprehensive computational C++ framework for solving functional Renormalisation Group flows in very general truncation schemes. Its central…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
We perform a calculation of dense and hot nuclear matter where the mean interaction between nucleons is described by in-medium effective fields and where we employ analytical approximations of the Fermi integrals. We generalize a previous…
We present a new method to solve the nuclear density functional theory (DFT) equations using a two-center harmonic oscillator for Skyrme-like functionals, incorporating pairing and Coulomb interactions. The goal is to efficiently determine…
When studying high-dimensional dynamical systems such as macromolecules, quantum systems and polymers, a prime concern is the identification of the most probable states and their stationary probabilities or free energies. Often, these…