Related papers: Numerical computation of critical properties and a…
We use the spectral synthesis code Cloudy to tabulate the properties of gas for an extensive range in redshift (z=0 to 9), temperature (log T [K] = 1 to 9.5), metallicity (log Z/$\mathrm{Z}_{\odot}$ = -4 to +0.5, Z=0), and density (log…
Estimating the complete 3D point cloud from an incomplete one is a key problem in many vision and robotics applications. Mainstream methods (e.g., PCN and TopNet) use Multi-layer Perceptrons (MLPs) to directly process point clouds, which…
We present example applications of an approach to high-throughput first-principles calculations of the electronic properties of materials implemented within the Exabyte.io platform. We deploy computational techniques based on the Density…
The number of distinguishable inherent structures of a liquid is the key component to understanding the thermodynamics of glass formers. In the case of hard potential systems such as hard discs, spheres and ellipsoids, an inherent structure…
A fusion boundary-plasma domain is defined by axisymmetric magnetic surfaces where the geometry is often complicated by the presence of one or more X-points; and modeling boundary plasmas usually relies on computational grids that account…
A practical use of the entanglement entropy in a 1d quantum system is to identify the conformal field theory describing its critical behavior. It is exactly $(c/3)\ln \ell$ for an interval of length $\ell$ in an infinite system, where $c$…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
A method is presented for the registration and correlation of intrinsic property maps of materials, including data from nanoindentation hardness, Electron Back-Scattered Diffraction (EBSD), Electron Micro-Probe Analysis (EPMA). This highly…
Materials design has traditionally evolved through trial-error approaches, mainly due to the non-local relationship between microstructures and properties such as strength and toughness. We propose 'alloy informatics' as a machine learning…
Complex systems are characterised by a tight, nontrivial interplay of their constituents, which gives rise to a multi-scale spectrum of emergent properties. In this scenario, it is practically and conceptually difficult to identify those…
Thermal behavior has become a first-order constraint in advanced 2.5D/3D integrated circuits (ICs) and heterogeneous packages. As power densities rise and multiple active dies are vertically integrated, heat removal paths become…
The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…
The topological entanglement entropy is used to measure long-range quantum correlations in the ground state of topological phases. Here we obtain closed form expressions for topological entropy of (2+1)- and (3+1)-dimensional loop gas…
A numerical parameter, referred to as a topological index, is used to represent the molecular structure of a compound by analyzing its graph-theoretical characteristics. Topological indices are predictive methods for the physicochemical…
Vertically integrated (3D) combinations of sensors and electronics provide the ability to fabricate small, fine pitch pixels with very small total capacitance monolithically integrated with complex circuitry. The small capacitance, enabled…
We investigate entanglement properties of infinite 1D and 2D spin-1/2 quantum Ising and XXZ models. Tensor network methods (MPS in 1D and TERG and CTMRG in 2D) are used to model the ground state of the studied models. Different entanglement…
We explore some basic entanglement features of multiqubit systems that are relevant for the development of algorithms for searching highly entangled states. In particular, we compare the behaviours of multiqubit entanglement measures based…
Following the advent of immersive technologies and the increasing interest in representing interactive geometrical format, 3D Point Clouds (PC) have emerged as a promising solution and effective means to display 3D visual information. In…
Adequate characterization of two-dimensional materials with low energy barriers for impurity adsorption is key for advancing applications based on catalysis, sensing, and surface functionalization. However, first-principles methods, such as…
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multiple-instruction-multiple-data parallel computer with 1024…