Related papers: TBPLaS: a Tight-Binding Package for Large-scale Si…
Thin-plate spline (TPS) is a principal warp that allows for representing elastic, nonlinear transformation with control point motions. With the increase of control points, the warp becomes increasingly flexible but usually encounters a…
The MPLAPACK (formerly MPACK) is a multiple-precision version of LAPACK (https://www.netlib.org/lapack/). MPLAPACK version 2.0.1 is based on LAPACK version 3.9.1 and translated from Fortran 90 to C++ using FABLE, a Fortran to C++…
Fast computation of three-dimensional gravity and magnetic forward models is considered. Measurement data is assumed to be obtained on a uniform grid which is staggered with respect to the discretization of the parameter volume. Then, the…
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are not accessible in standard first principles packages. PAOFLOW…
The classical simulation of quantum computers is in general a computationally hard problem. To emulate the behavior of realistic devices, it is sufficient to sample bitstrings from circuits. Recently, arXiv:2112.08499 introduced the…
In the world of linear algebra computation, a well-established standard exists called BLAS(Basic Linear Algebra Subprograms). This standard has been crucial for the development of software using linear algebra operations. Its benefits…
We present Quantum MASALA, a compact package that implements different electronic structure methods in Python using the plane-wave basis. Within just 8100 lines of pure Python code, we have implemented Density Functional Theory (DFT),…
The MCPlas toolbox represents a collection of MATLAB functions for the automated generation of an equation-based fluid-Poisson model for non-thermal plasmas in the multiphysics simulation software COMSOL. Following the development of the…
The Bin Packing Problem (BPP) is a well-established combinatorial optimization (CO) problem. Since it has many applications in our daily life, e.g. logistics and resource allocation, people are seeking efficient bin packing algorithms. On…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
Determining a globally optimal solution of belief space planning (BSP) in high-dimensional state spaces is computationally expensive, as it involves belief propagation and objective function evaluation for each candidate action. Our…
We give an $\alpha(1+\epsilon)$-approximation algorithm for solving covering LPs, assuming the presence of a $(1/\alpha)$-approximation algorithm for a certain optimization problem. Our algorithm is based on a simple modification of the…
Complex cyber-physical systems interact in real-time and must consider both timing and uncertainty. Developing software for such systems is expensive and difficult, especially when modeling, inference, and real-time behavior must be…
Scanning probe microscopy (SPM) is a powerful technique for mapping nanoscale surface properties through tip-sample interactions. Thermal scanning-probe lithography (tSPL) is an advanced SPM variant that uses a silicon tip on a heated…
Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…
It is often desirable to build a statistical emulator of a complex computer simulator in order to perform analysis which would otherwise be computationally infeasible. We propose methodology to model multivariate output from a computer…
We present a scalable scheme to design optimized soft pulses and pulse sequences for coherent control of interacting quantum many-body systems. The scheme is based on the cluster expansion and the time dependent perturbation theory…
Many sophisticated computer models have been developed to understand the behaviour of particle accelerators. Even these complex models often do not describe the measured data. Interactions of the beam with external fields, other particles…
We report on our recent efforts to perform realistic simulations of large quantum devices in the time domain. In contrast to d.c. transport where the calculations are explicitly performed at the Fermi level, the presence of time-dependent…
Laser ablation plasma thrusters are an emerging space propulsion concept that provides promise for lightweight payload delivery. Predicting the lifetime and performance of these thrusters hinges on a comprehensive characterization of the…