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Related papers: A Science Gateway for Atomic and Molecular Physics

200 papers

Molecular datasets often suffer from a lack of data. It is well-known that gathering data is difficult due to the complexity of experimentation or simulation involved. Here, we leverage mutual information across different tasks in molecular…

Machine Learning · Computer Science 2024-05-06 Sung Moon Ko , Sumin Lee , Dae-Woong Jeong , Hyunseung Kim , Chanhui Lee , Soorin Yim , Sehui Han

Due primarily to technological advances over the last decade, quantum research has become a key priority area for science and technology policy all over the world. With this manifesto we wish to prevent quantum technology from running into…

Physics and Society · Physics 2022-05-12 Christopher Coenen , Alexei Grinbaum , Armin Grunwald , Colin Milburn , Pieter Vermaas

Quantum computing is no longer only a scientific interest but is rapidly becoming an industrially available technology that can potentially overcome the limits of classical computation. Over the last years, all major companies have provided…

Software Engineering · Computer Science 2022-04-12 Manuel De Stefano , Fabiano Pecorelli , Dario Di Nucci , Fabio Palomba , Andrea De Lucia

Inspired by recent breakthroughs with topological quantum materials, which pave the way to novel, high-efficiency, low-energy magnetoelectric devices and fault-tolerant quantum information processing, inter alia, topological quantum walks…

Quantum Physics · Physics 2019-08-08 Jizhou Wu , Wei-Wei Zhang , Barry C. Sanders

We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…

Instrumentation and Methods for Astrophysics · Physics 2015-06-16 F. I. Pelupessy , A. van Elteren , N. de Vries , S. L. W. McMillan , N. Drost , S. F. Portegies Zwart

As quantum computers advance, the complexity of the software they can execute increases as well. To ensure this software is efficient, maintainable, reusable, and cost-effective -key qualities of any industry-grade software-mature software…

The geometry of atomic arrangement underpins the structural understanding of molecules in many fields. However, no general framework of mathematical/computational theory for the geometry of atomic arrangement exists. Here we present…

Despite numerous achievements and recent progress, nuclear physics is often (wrongly) considered an old field of research nowadays. However, developments in theoretical frameworks and reliable experimental techniques have made the field…

Nuclear Theory · Physics 2025-06-23 C. -J. Yang , V. Horny , D. Doria , K. Spohr

We introduce \emph{Astronomy and Computing}, a new journal for the growing population of people working in the domain where astronomy overlaps with computer science and information technology. The journal aims to provide a new communication…

Instrumentation and Methods for Astrophysics · Physics 2012-10-31 Alberto Accomazzi , Tamás Budavári , Christopher Fluke , Norman Gray , Robert G Mann , William O'Mullane , Andreas Wicenec , Michael Wise

Distributed quantum networks will allow users to perform tasks and to interact in ways which are not possible with present-day technology. Their implementation is a key challenge for quantum science and requires the development of…

Quantum Physics · Physics 2015-12-21 Andreas Reiserer , Gerhard Rempe

Artificial intelligence (AI) is used in numerous fields of science, yet the initial research questions and targets are still almost always provided by human researchers. AI-generated creative ideas in science are rare and often vague, so…

Artificial Intelligence · Computer Science 2025-11-18 Sören Arlt , Xuemei Gu , Mario Krenn

There is compelling theoretical evidence that quantum physics will change the face of information science. Exciting progress has been made during the last two decades towards the building of a large scale quantum computer. A quantum group…

Quantum Algebra · Mathematics 2013-01-22 Zhenghan Wang

One overarching objective of science is to further our understanding of the universe, from its early stages to its current state and future evolution. This depends on gaining insight on the universe's most macroscopic components, for…

High Energy Physics - Phenomenology · Physics 2020-01-01 Caterina Doglioni

Network science provides a universal framework for modeling complex systems, contrasting the reductionist approach generally adopted in physics. In a prototypical study, we utilize network models created from spectroscopic data of atoms to…

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction…

Making quantum mechanical equations and concepts come to life through interactive simulation and visualization are commonplace for augmenting learning and teaching. However, graphical visualizations nearly always exhibit a set of hard-coded…

In this paper we present a graphical programming framework, LabVIEW, and associated language and libraries, as well as programming techniques and patterns that we have found useful in making FPGAs accessible to scientists and engineers as…

Software Engineering · Computer Science 2014-08-21 Hugo A. Andrade , Simon Hogg , Stephan Ahrends

We suggest a combined atomic/molecular system for quantum computation, which takes advantage of highly developed techniques to control atoms and recent experimental progress in manipulation of ultracold molecules. We show that two atoms of…

Quantum Physics · Physics 2015-05-14 Elena Kuznetsova , Marko Gacesa , Susanne F. Yelin , Robin Côté

Computational scientists are facing a new era where the old ways of developing and reusing code have to be left behind and a few daring steps are to be made towards new horizons. The present work analyzes the needs that drive this change,…

Computational Engineering, Finance, and Science · Computer Science 2021-08-23 Zsolt I. Lázár , Jouke R. Heringa , Bazil Pârv , Simon W. de Leeuw

Early advances in the field of quantum computing have provided new opportunities to tackle intricate problems in areas as diverse as mathematics, physics, or healthcare. However, the technology required to construct such systems where…

Software Engineering · Computer Science 2024-05-08 Enrique Moguel , Jose Garcia-Alonso , Majid Haghparast , Juan M. Murillo