Related papers: Scalable Nuclear Density Functional Theory with Sk…
Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…
A major challenge in extracting information from current and upcoming surveys of cosmological Large-Scale Structure (LSS) is the limited availability of computationally expensive high-fidelity simulations. We introduce calibrated Neural…
For decades, people are developing efficient numerical methods for solving the challenging quantum many-body problem, whose Hilbert space grows exponentially with the size of the problem. However, this journey is far from over, as previous…
Reliable predictions of nuclear properties are needed as much to answer fundamental science questions as in applications such as reactor physics or data evaluation. Nuclear density functional theory is currently the only microscopic, global…
One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…
In a previous paper it was shown that a machine learning regression problem can be solved within the framework of random function theory, with the optimal kernel analytically derived from symmetry and indifference principles and coinciding…
A nuclear density functional can be used to find the binding energy and shell structure of nuclei and the energy gap in superconducting nuclear matter. In this paper, we study the possible application of a nuclear density functional theory…
While deep learning-based methods have demonstrated outstanding results in numerous domains, some important functionalities are missing. Resolution scalability is one of them. In this work, we introduce a novel architecture, dubbed…
The calculation of electron density distribution using density functional theory (DFT) in materials and molecules is central to the study of their quantum and macro-scale properties, yet accurate and efficient calculation remains a…
Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the…
We present numerical results on three-dimensional (3D) hydrodynamic core-collapse simulations of an $11.2 M_{\odot}$ star. By comparing one-(1D) and two-dimensional(2D) results with those of 3D, we study how the increasing spacial…
Computing $k$-Nearest Neighbors (KNN) is one of the core kernels used in many machine learning, data mining and scientific computing applications. Although kd-tree based $O(\log n)$ algorithms have been proposed for computing KNN, due to…
We review a molecular dynamics method for nucleon many-body systems called the quantum molecular dynamics (QMD) and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to the…
In recent years, researchers have been exploring the applications of noisy intermediate-scale quantum (NISQ) computation in various fields. One important area in which quantum computation can outperform classical computers is the ground…
Astrophysical simulations are computation, memory, and thus energy intensive, thereby requiring new hardware advances for progress. Stony Brook University recently expanded its computing cluster "SeaWulf" with an addition of 94 new nodes…
Features that are equivariant to a larger group of symmetries have been shown to be more discriminative and powerful in recent studies. However, higher-order equivariant features often come with an exponentially-growing computational cost.…
We have developed a parallel Particle-Particle, Particle-Mesh (P^3M) simulation code for the T3E well suited to studying the time evolution of systems of particles interacting via gravity and gas forces in cosmological contexts. The…
The systematic investigation of the ground state and fission properties of even-even actinides and superheavy nuclei with $Z=90-120$ from the two-proton up to two-neutron drip lines with proper assessment of systematic theoretical…
Models of core-collapse supernova explosions powered by the neutrino-driven mechanism have matured considerable in recent years. Explosions at the low-mass end of the progenitor spectrum can routinely be simulated in 1D, 2D, and 3D and…
Cosmology is in an era of rapid discovery especially in areas related to dark energy, dark matter and inflation. Quantum cosmology treats the cosmology quantum mechanically and is important when quantum effects need to be accounted for,…