Related papers: Optimized Multichannel Quantum Defect Theory for c…
The Transformer model, renowned for its powerful attention mechanism, has achieved state-of-the-art performance in various artificial intelligence tasks but faces challenges such as high computational cost and memory usage. Researchers are…
HfF$^+$ cation is a very promising system to search for the electron electric dipole moment (EDM), and corresponding experiment is carried out by E. Cornell group. Here we theoretically investigate the cation to search for another T,P-odd…
Multiconfiguration pair-density functional theory (MC-PDFT) is a post-MCSCF multireference electronic-structure method that explicitly models strong electron correlation, and linearized pair-density functional theory (L-PDFT) is a recently…
Cell segmentation in single-shot quantitative phase microscopy (ssQPM) faces challenges from traditional thresholding methods that are sensitive to noise and cell density, while deep learning approaches using simple channel concatenation…
We develop and analyze a framework for consistent QM/MM (quantum/classic) hybrid models of crystalline defects, which admits general atomistic interactions including traditional off-the-shell interatomic potentials as well as state of art…
It is illustrated that semiconductor quantum dots (QDs) embedded into an insulating matrix connected with metallic electrodes and some vacuum space can lead to significant thermal rectification effect. A multilevel Anderson model is used to…
Techniques for producing cold and ultracold molecules are enabling the study of chemical reactions and scattering at the quantum scattering limit, with only a few partial waves contributing to the incident channel, leading to the…
Mix-cumulants of conserved charge distributions are sensitive observables for probing properties of the QCD medium and phase transition in heavy-ion collisions. To perform precise measurements, efficiency correction is one of the most…
Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…
We present a multitask machine learning strategy for improving the prediction of molecular dipole moments by simultaneously training on quantum dipole magnitudes and inexpensive Mulliken atomic charges. With dipole magnitudes as the primary…
The complex Rydberg structure of ytterbium atoms is shaped by multiple low-lying ion-core-excited states and strong channel interactions, which presents both opportunities and challenges for quantum information processing and precision…
Quantum Molecular Dynamics (QMD) calculations are used to study the expansion phase in central collisions between heavy nuclei. The final state of such a reaction can be understood as the result of a entropy conserving expansion starting…
Using the reactance matrix approach, we systematically develop new multichannel quantum defect theory models for the singlet and triplet S, P, D and F states of strontium based on improved energy level measurements. The new models reveal…
The multichannel Na-Cs interactions are characterized by a series of measurements using two atoms in an optical tweezer, along with a multichannel quantum defect theory (MQDT). The triplet and singlet scattering lengths are measured by…
Quantum Monte Carlo approaches such as the diffusion Monte Carlo (DMC) method are among the most accurate many-body methods for extended systems. Their scaling makes them well suited for defect calculations in solids. We review the various…
In this work, we study the tradeoffs between the error probabilities of classical-quantum channels and the blocklength $n$ when the transmission rates approach the channel capacity at a rate slower than $1/\sqrt{n}$, a research topic known…
We extend multireference covariant density-functional theory (MR-CDFT) based on a relativistic point-coupling energy functional to describe the low-lying states of odd-mass nuclei. The nuclear wave function is constructed as a superposition…
Quantum mechanical many-electron calculations can predict properties of atoms, molecules and even complex materials. The employed computational methods play a quintessential role in many scientifically and technologically relevant research…
Molecular communication is a new field of communication where molecules are used to transfer information. Among the proposed methods, molecular communication via diffusion (MCvD) is particularly effective. One of the main challenges in MCvD…
With the Lipkin-Meshkov-Glick (LMG) model as an illustration, we construct a thermodynamic cycle composed of two isothermal processes and two isomagnetic field processes and study the thermodynamic performance of this cycle accompanied by…