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It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…
Time- and frequency resolved optical signals provide insights into the properties of light harvesting molecular complexes, including excitation energies, dipole strengths and orientations, as well as in the exciton energy flow through the…
Manipulation planning is the task of computing robot trajectories that move a set of objects to their target configuration while satisfying physically feasibility. In contrast to existing works that assume known object templates, we are…
Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing…
Electron-hole systems on a Haldane sphere are studied by exact numerical diagonalization. Low lying states contain one or more types of bound charged excitonic complexes Xk-, interacting through appropriate pseudopotentials. Incompressible…
Hydrogen's growing role in the transition towards climate-neutral energy systems necessitates structured modeling frameworks. Existing gas network models, largely developed for natural gas, fail to capture hydrogen systems distinct…
Polaron-transformed quantum master equation (PQME) offers a unified framework to describe the dynamics of quantum systems in both limits of weak and strong couplings to environmental degrees of freedom. Thus, PQME serves as an efficient…
The behavior of orbits in charged-particle beam transport systems, including both linear and circular accelerators as well as final focus sections and spectrometers, can depend sensitively on nonlinear fringe-field and high-order-multipole…
We present an approach to the fractional quantum Hall effect observed in grapheme (GFQHE), basing us on the model developed previously for the fractional quantum Hall effect in a two-dimensional electron system embedded in a quantum well…
Harmonic maps are nonlinear extensions of harmonic functions. They are critical points of natural energy functionals between Riemannian manifolds. Such type of problems appear in Physics, Geometry of Finance and the study of regularity and…
The metal-to-insulator transition and the presence of the disorder induced localization of electronic orbitals of fluid mercury (f-Hg) were investigated. The electronic structure of f-Hg was simulated by means of ab initio molecular…
The shift in chemical equilibria due to isotope substitution is often exploited to gain insight into a wide variety of chemical and physical processes. It is a purely quantum mechanical effect, which can be computed exactly using…
Partial differential equations (PDEs) are central to computational electromagnetics (CEM) and photonic design, but classical solvers face high costs for large or complex structures. Quantum Hamiltonian simulation provides a framework to…
This paper reviews progress on the Fractional Quantum Hall Effect (FQHE) based on what we term hamiltonian theories, i.e., theories that proceed from the microscopic electronic hamiltonian to the final solution via a sequence of…
Astrophysical plasmas in relativistic spacetimes, such as black hole accretion flows, are often weakly collisional and require kinetic modeling to capture non-local transport and particle acceleration. However, the extreme scale separation…
We propose a scheme to mapping electromagnetic fields structure in plasma by using a spin polarized relativistic electron beam. Especially by using Particle-in-Cell (PIC) and electron spin tracing simulations, we have successfully…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
Under the local plasmonic excitation, the Raman images of a single molecule can now reach sub-nanometer resolution. We report here a theoretical description of the interaction between a molecule and a highly confined plasmonic field. It is…
While direct hot-carrier transfer can increase photo-catalytic activity, it is difficult to discern experimentally and competes with several other mechanisms. To shed light on these aspects, here, we model from first principles hot-carrier…
Recent advances in operator learning have produced two distinct approaches for solving partial differential equations (PDEs): attention-based methods offering point-level adaptability but lacking spectral constraints, and spectral-based…