Related papers: Libcint: An efficient general integral library for…
Optimizing recessed-gate AlGaN/GaN MIS-HEMTs requires accurate multi-characteristic models, but experimental semiconductor datasets remain costly and encode process-induced variability that simulations cannot faithfully reproduce. This work…
Most particle induced X-ray emission (PIXE) data analysis codes are not focused on handling multilayered samples. We have developed an open-source library called "LibCPIXE", for PIXE data analysis. It is written in standard C and implements…
To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure…
Compressed bitmap indexes are used in systems such as Git or Oracle to accelerate queries. They represent sets and often support operations such as unions, intersections, differences, and symmetric differences. Several important systems…
Matrix libraries often focus on achieving high performance for problems considered to be either "small" or "large", as these two scenarios tend to respond best to different optimization strategies. We propose a unified technique for…
Sparse linear algebra is a cornerstone of many scientific computing and machine learning applications. Python has become a popular choice for these applications due to its simplicity and ease of use. Yet high performance sparse kernels in…
Lattice QCD calculations require significant computational effort, with the dominant fraction of resources typically spent in the numerical inversion of the Dirac operator. One of the simplest methods to solve such large and sparse linear…
In many real-world applications we are interested in approximating costly functions that are analytically unknown, e.g. complex computer codes. An emulator provides a fast approximation of such functions relying on a limited number of…
This research note presents a derivation and implementation of efficient and scalable gradient computations using the celerite algorithm for Gaussian Process (GP) modeling. The algorithms are derived in a "reverse accumulation" or…
We present a quantum CISC compiler and show how to assemble complex instruction sets in a scalable way. Enlarging the toolbox of universal gates by optimised complex multi-qubit instruction sets thus paves the way to fight decoherence for…
Digital signatures are fundamental building blocks in various protocols to provide integrity and authenticity. The development of the quantum computing has raised concerns about the security guarantees afforded by classical signature…
This report provides an introduction to the ensmallen numerical optimization library, as well as a deep dive into the technical details of how it works. The library provides a fast and flexible C++ framework for mathematical optimization of…
In this paper, we analyze the iteration-complexity of Generalized Forward--Backward (GFB) splitting algorithm, as proposed in \cite{gfb2011}, for minimizing a large class of composite objectives $f + \sum_{i=1}^n h_i$ on a Hilbert space,…
Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…
I present HPRMAT, a high-performance solver library for the linear systems arising in R-matrix coupled-channel scattering calculations in nuclear physics. Designed as a drop-in replacement for the linear algebra routines in existing…
We compute I-functions and central charges for abelian GLSMs using virtual matrix factorizations of Favero and Kim. In the Calabi-Yau case we provide analytic continuation for the central charges by explicit integral formulas. The integrals…
The Euclidean algorithm is one of the oldest algorithms known to mankind. Given two integral numbers $a_1$ and $a_2$, it computes the greatest common divisor (gcd) of $a_1$ and $a_2$ in a very elegant way. From a lattice perspective, it…
We present a general analytical framework for quasi-static quantum Stirling engines operating across ground-state level crossings (GLC). In the low-temperature regime, we derive the Primarch Formula, an exact universal expression linking…
Qubits, which are quantum counterparts of classical bits, are used as basic information units for quantum information processing, whereas underlying physical information carriers, e.g. (artificial) atoms or ions, admit encoding of more…
We present a program for the numerical evaluation of scalar integrals and tensor form factors entering the calculation of one-loop amplitudes which supports the use of complex masses in the loop integrals. The program is built on an earlier…