Related papers: TC++: First-principles calculation code for solids…
Two-dimensional topological translationally-invariant (TTI) quantum codes, such as the toric code (TC) and bivariate bicycle (BB) codes, are promising candidates for fault-tolerant quantum computation. For such codes to be practically…
Cyclic reduction is a method for the solution of (block-)tridiagonal linear systems. In this note we review the method tailored to hermitian positive definite banded linear systems. The reviewed method has the following advantages: It is…
We present a novel, fast method to compute thermal interactions in solids, useful for time-dependent problems involving several sources and several time and space scales such as the ones encountered in the physics of fields of closed loop…
To follow up on the unexpectedly-good performance of several coupled-cluster models with approximate inclusion of 3-body clusters [J. Chem. Phys. 151, 064102 (2019)] we performed a more complete assessment of the 3CC method [J. Chem. Phys.…
An algorithm for first-principles electronic structure calculations having a computational cost which scales linearly with the system size is presented. Our method exploits the real-space localization of the density matrix, and in this…
Ionic conductivity is a critical property of solid ionic conductors, directly influencing the performance of energy storage devices such as batteries. However, accurately calculating ionic conductivity or diffusion coefficient remains…
An uncoupled multi-scale homogenization approach is used to estimate the effective thermal conductivities of plain weave C/C composites with a high degree of porosity. The geometrical complexity of the material system on individual scales…
While the periodic equation-of-motion coupled-cluster (EOM-CC) method promises systematic improvement of electronic band gap calculations in solids, its practical application at the singles and doubles level (EOM-CCSD) is hindered by severe…
The short-time linear canonical transform (STLCT) can be identified as a generalization of the short-time Fourier transform (STFT). It is a novel time-frequency analysis tool. In this paper, we generalize some different uncertainty…
The detection and classification of intersections between triangles are crucial tasks in a wide range of applications within Computer Graphics and Geometry Processing, including mesh Arrangements, mesh Booleans, and generic mesh processing…
With the advent of very large redshift surveys of tens to hundreds of thousands of galaxies reliable techniques for automatically determining galaxy redshifts are becoming increasingly important. The most common technique currently in…
This is Part II of the paper series on data-compatible T-matrix completion (DCTMC), which is a method for solving nonlinear inverse problems. Part I of the series contains theory and here we present simulations for inverse scattering of…
We present our experience of porting the code used in the wave-packet convergent-close-coupling (WP-CCC) approach to run on NVIDIA V100 and AMD MI250X GPUs. The WP-CCC approach is a method used in the field of ion-atom collision physics to…
Understanding and predicting the thermodynamic properties of point defects in semiconductors and insulators would greatly aid in the design of novel materials and allow tuning the properties of existing ones. As a matter of fact,…
Developing an accurate simulation method for the electrochemical stability of solids, as well as understanding the physics related with its accuracy, is critically important for improving the performance of compounds and predicting the…
The discovery of new quantum error-correcting codes that encode several logical qubits into relatively few physical qubits motivates the development of efficient and accurate methods of decoding these systems. Here, we adopt the…
This technical note documents the implementation and use of the Primal-Dual Conic Programming Solver (PDCS), a first-order solver for large-scale conic optimization problems introduced by Lin et al. (arXiv:2505.00311). It describes the…
This paper describes the VARTOOLS program, which is an open-source command-line utility, written in C, for analyzing astronomical time-series data, especially light curves. The program provides a general-purpose set of tools for processing…
We address the problem of solving a system of linear equations via the Quantum Singular Value Transformation (QSVT). One drawback of the QSVT algorithm is that it requires huge quantum resources if we want to achieve an acceptable accuracy.…
In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a correlated sampling method to efficiently calculate…