Related papers: Python GUI Scripting Interface for Running Atomic …
Electronic quizzes are used extensively for summative and formative assessment. Current Learning Management Systems (LMS) allow instructors to create quizzes through a Graphical User Interface. Despite having a smooth learning curve,…
Event-driven programming is used in many fields of modern Computer Science. In event-driven programming languages user interacts with a program by triggering the events. We propose a new approach that we denote command-event driven…
Developing IoT, Data Computing and Cloud Computing software requires different programming skills and different programming languages. This cause a problem for many companies and researchers that need to hires many programmers to develop a…
Today, technological advancement is increasing day by day. Earlier, there was only a computer system in which we could only perform a few tasks. But now, machine learning, artificial intelligence, deep learning, and a few more technologies…
RunMC is an object-oriented framework aimed to generate and to analyse high-energy collisions of elementary particles using Monte Carlo simulations. This package, being based on C++ adopted by CERN as the main programming language for the…
It is becoming increasingly clear that, if a useful device for quantum computation will ever be built, it will be embodied by a classical computing machine with control over a truly quantum subsystem, this apparatus performing a mixture of…
The prevailing paradigm in AI for physical systems (scaling general-purpose foundation models toward universal multimodal reasoning) confronts a fundamental barrier at the control interface. Recent benchmarks show that even frontier…
In the exascale computing era, handling and analyzing massive datasets have become extremely challenging. In situ analysis, which processes data during simulation runtime and bypasses costly intermediate disk input and output steps, offers…
We introduce ProjectQ, an open source software effort for quantum computing. The first release features a compiler framework capable of targeting various types of hardware, a high-performance simulator with emulation capabilities, and…
A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…
CLPGUI is a graphical user interface for visualizing and interacting with constraint logic programs over finite domains. In CLPGUI, the user can control the execution of a CLP program through several views of constraints, of finite domain…
Lyncs-API is a Python API for Lattice QCD applications. It is designed as a Python toolkit that allows the user to use and run various lattice QCD libraries while programming in Python. The goal is to provide the user an easy programming…
Quantum computing holds great promise for surpassing the limits of classical devices in many fields. Despite impressive developments, however, current research is primarily focused on qubits. At the same time, quantum hardware based on…
We present initial ideas for a programming paradigm based on simulation that is targeted towards applications of artificial intelligence (AI). The approach aims at integrating techniques from different areas of AI and is based on the idea…
Visual Molecular Dynamics (VMD) is one of the most widely used molecular graphics software in the community of theoretical simulations. So far, however, it still lacks a graphical user interface (GUI) for molecular manipulations when doing…
We present an easy-to-use, Python-based framework that allows a researcher to automate their computational simulations. In particular the framework facilitates assembling several long-running computations and producing various plots from…
Biophysics is a subject that is spread over many disciplines and transcends the skills and knowledge of the individual student. This makes it challenging both to teach and to learn. Educational materials are described to aid in teaching…
The purpose of this paper is to show how existing scientific software can be parallelized using a separate thin layer of Python code where all parallel communication is implemented. We provide specific examples on such layers of code, and…
Modern supercomputers are increasingly relying on Graphic Processing Units (GPUs) and other accelerators to achieve exa-scale performance at reasonable energy usage. The challenge of exploiting these accelerators is the incompatibility…
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic…