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Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…

Biomolecules · Quantitative Biology 2016-08-02 Irem Altan , Patrick Charbonneau , Edward H. Snell

We study ionic liquids interacting with electrified interfaces. The ionic fluid is modeled as a Coulomb lattice gas. We compare the ionic density profiles calculated using a popular modified Poisson-Boltzmann equation with the explicit…

Soft Condensed Matter · Physics 2017-12-21 Matheus Girotto , Thiago Colla , Alexandre P. dos Santos , Yan Levin

Building interactive tools to support data analysis is hard because it is not always clear what to build and how to build it. To address this problem, we present Precision Interfaces, a semi-automatic system to generate task-specific data…

Databases · Computer Science 2017-07-03 Haoci Zhang , Thibault Sellam , Eugene Wu

Interactive high-performance computing is doubtlessly beneficial for many computational science and engineering applications whenever simulation results should be visually processed in real time, i.e. during the computation process.…

Computational Engineering, Finance, and Science · Computer Science 2018-07-03 Ralf-Peter Mundani , Jérôme Frisch , Vasco Varduhn , Ernst Rank

PyCPL provides full access to ESO's Common Pipeline Library ( CPL) for astronomical data reduction within a Python environment. Not only does it offer a Python interface to the robust CPL library, but it also lets users and developers fully…

Instrumentation and Methods for Astrophysics · Physics 2024-04-03 Mrunmayi S. Deshpande , Nuria P. F. Lorente , Anthony Horton , Brent Miszalski , Ralf Palsa , Lars Lundin , Anthony Heng , Aidan Farrell

With the large diversity of platforms and devices used by students, web applications increasingly suggest themselves as the solution of choice. Developing adequate educational programming environments in the browser, however, remains a…

Programming Languages · Computer Science 2024-10-10 Clemens Bachmann , Alexandra Maximova , Tobias Kohn , Dennis Komm

This article describes lcpy, an open-source python package that allows for advanced parametric Life Cycle Assessment (LCA) and Life Cycle Costing (LCC) analysis. The package is designed to allow the user to model a process with a flexible,…

Emerging Technologies · Computer Science 2025-06-17 Spiros Gkousis , Evina Katsou

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

A novel coupled level-set lattice Boltzmann method on adaptive Cartesian grids for simulating liquid-gas multiphase flows is presented. The approach addresses the inherent challenges of accurately modeling multiphase systems characterized…

Fluid Dynamics · Physics 2026-01-12 Julian Vorspohl , Yuxing Peng , Matthias Meinke , Dominik Krug , Wolfgang Schröder

Links is a web programming language under development in Edinburgh aimed at simplifying web development. Conventional multi-tier applications involve programming in several languages for different layers, and the mismatches between these…

Programming Languages · Computer Science 2019-05-07 Junao Wu , Arek Mikolajczak , James Cheney

High-Level Synthesis allows hardware designers to create complex RTL designs using C/C++. The traditional HLS workflow involves iterations of C/C++ simulation for partial functional verification and HLS synthesis for coarse timing…

Performance · Computer Science 2023-04-25 Rishov Sarkar , Cong Hao

Simulations of hadronic and nuclear interactions are essential in both collider and astroparticle physics. The Chromo package provides a unified Python interface to multiple widely used hadronic event generators, including EPOS, DPMJet,…

Computational Physics · Physics 2025-07-30 Anatoli Fedynitch , Hans Dembinski , Anton Prosekin

Effective program synthesis requires a way to minimise the number of candidate programs being searched. A type signature, for example, places some small restrictions on the structure of potential candidates. We introduce and motivate a…

Programming Languages · Computer Science 2019-07-15 Bruce Collie , Michael O'Boyle

Integer Linear Programming (ILP) has a broad range of applications in various areas of artificial intelligence. Yet in spite of recent advances, we still lack a thorough understanding of which structural restrictions make ILP tractable.…

Discrete Mathematics · Computer Science 2020-03-17 Pavel Dvořák , Eduard Eiben , Robert Ganian , Dušan Knop , Sebastian Ordyniak

Practical implementations of high-level languages must provide access to libraries and system services that have APIs specified in a low-level language (usually C). An important characteristic of such mechanisms is the foreign-interface…

Programming Languages · Computer Science 2007-05-23 Kathleen Fisher , Riccardo Pucella , John Reppy

Pipelining is a well understood and often used implementation technique for increasing the performance of a hardware system. We develop several SystemC/C++ modeling techniques that allow us to quickly model, simulate, and evaluate…

Hardware Architecture · Computer Science 2008-01-16 Ed Harcourt

Lattices are deceptively simple mathematical structures that have become indispensable for code design for physical layer communications. While lattice-related problems are interesting in their own right, the usefulness of these discrete…

Information Theory · Computer Science 2017-06-21 Amaro Barreal

The Coherence Length Diagram and the related maps have been shown to represent a useful tool for image analysis. Setting threshold parameters is one of the most important issues when dealing with such applications, as they affect both the…

Computer Vision and Pattern Recognition · Computer Science 2014-09-12 Roberto Marazzato , Amelia Carolina Sparavigna

Key questions that scientists and engineers typically want to address can be formulated in terms of predictive science. Questions such as: "How well does my computational model represent reality?", "What are the most important parameters in…

Mathematical Software · Computer Science 2012-02-07 Michael M. McKerns , Leif Strand , Tim Sullivan , Alta Fang , Michael A. G. Aivazis

Cyber-physical systems (CPSs) integrate cyber and physical components and enable them to interact with each other to meet user needs. The needs for CPSs span rich application domains such as healthcare and medicine, smart home, smart…

Software Engineering · Computer Science 2024-08-06 Dongming Jin , Shengxin Zhao , Zhi Jin , Xiaohong Chen , Chunhui Wang , Zheng Fang , Hongbin Xiao
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