Related papers: Solving the Bethe-Salpeter equation on massively p…
We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…
The computational cost of concurrent multiscale finite element methods is dominated by the repeated solution of microscopic representative volume element (RVE) problems at macroscopic quadrature points. In this work, we introduce a…
With modern requirements, there is an increasing tendency of considering multiple objectives/criteria simultaneously in many Software Engineering (SE) scenarios. Such a multi-objective optimization scenario comes with an important issue --…
Search Based Software Engineering (SBSE) is an emerging discipline that focuses on the application of search-based optimization techniques to software engineering problems. The capacity of SBSE techniques to tackle problems involving large…
An open-source middleware EigenKernel was developed for use with parallel generalized eigenvalue solvers or large-scale electronic state calculation to attain high scalability and usability. The middleware enables the users to choose the…
Over the last few decades, many distinct lines of research aimed at automating mathematics have been developed, including computer algebra systems (CASs) for mathematical modelling, automated theorem provers for first-order logic, SAT/SMT…
The Bethe-Salpeter equation (BSE) formalism, combined with the $GW$ approximation for ionization energies and electron affinities, is emerging as an efficient and accurate method for predicting optical excitations in molecules. In this…
Modern opto-electronic devices are based on semiconductor heterostructures employing the process of electron-hole pair annihilation. In particular polar materials enable a variety of classic and even quantum light sources, whose on-going…
In the era of big data, methods for improving memory and computational efficiency have become crucial for successful deployment of technologies. Hashing is one of the most effective approaches to deal with computational limitations that…
The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…
The DD-CPM software library provides a set of tools for the discretization and solution of problems arising from the closest point method (CPM) for partial differential equations on surfaces. The solvers are built on top of the well-known…
The Circuit Satisfiability (CSAT) problem, a variant of the Boolean Satisfiability (SAT) problem, plays a critical role in integrated circuit design and verification. However, existing SAT solvers, optimized for Conjunctive Normal Form…
Image segmentation is a popular area of research in computer vision that has many applications in automated image processing. A recent technique called piecewise flat embeddings (PFE) has been proposed for use in image segmentation; PFE…
Simulations of physical phenomena are essential to the expedient design of precision components in aerospace and other high-tech industries. These phenomena are often described by mathematical models involving partial differential equations…
Spectral clustering is a popular tool in network data analysis, with applications in a variety of scientific application areas. However, many studies have shown that classical spectral clustering does not perform well on certain network…
Harnessing modern parallel computing resources to achieve complex multi-physics simulations is a daunting task. The Multiphysics Object Oriented Simulation Environment (MOOSE) aims to enable such development by providing simplified…
Binary embeddings provide efficient and powerful ways to perform operations on large scale data. However binary embedding typically requires long codes in order to preserve the discriminative power of the input space. Thus binary coding…
The binary similarity problem consists in determining if two functions are similar by only considering their compiled form. Advanced techniques for binary similarity recently gained momentum as they can be applied in several fields, such as…
The Simple Assembly Line Balancing Problem with Power Peak Minimization (SALBP-3PM) minimizes maximum instantaneous power usage while assigning $n$ tasks to $m$ workstations and determining execution schedules within given cycle time…
Most problems in search-based software engineering involve balancing conflicting objectives. Prior approaches to this task have required a large number of evaluations- making them very slow to execute and very hard to comprehend. To solve…