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Related papers: PyStructureFactor: A Python code for the molecular…

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Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

This paper introduces PyMatching, a fast open-source Python package for decoding quantum error-correcting codes with the minimum-weight perfect matching (MWPM) algorithm. PyMatching includes the standard MWPM decoder as well as a variant,…

Quantum Physics · Physics 2021-07-14 Oscar Higgott

Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…

Computational Physics · Physics 2020-09-03 Markus Kühbach , Matthew Kasemer , Baptiste Gault , Andrew Breen

Ionization is critical in the formation and evolution of plasma dynamics; collisional ionization, in particular, is an often overlooked source of electrons when dealing with laser-plasma interactions. Ionization plays a crucial role in…

Plasma Physics · Physics 2026-03-19 Stephen DiIorio , Ricardo Fonseca , Frank Tsung , Benjamin J. Winjum , Alec G. R. Thomas

Multielectron tunneling ionization creates ionic coherence crucial for lasing and driving electron motion in molecules. While tunneling is well understood as a single active electron process, less emphasis has been placed on theoretical…

Quantum Physics · Physics 2026-04-23 Chi-Hong Yuen

We present a robust analysis code developed in the Python language and incorporating libraries of the ROOT data analysis framework for the state-of-the-art mass spectrometry method called phase-imaging ion-cyclotron-resonance (PI-ICR). A…

Computational Physics · Physics 2021-07-28 Jonas Karthein , Dinko Atanasov , Klaus Blaum , David Lunney , Vladimir Manea , Maxime Mougeot

Cross-section data unavailability for non-water materials in track structure simulation software necessitates nanodosimetric quantity transformation from water to other materials. Cluster dose calculation transformation initially employed…

Medical Physics · Physics 2025-10-28 Miriam Schwarze , Hui Khee Looe , Björn Poppe , Leo Thomas , Hans Rabus

We coincidently measure the molecular frame photoelectron angular distribution and the ion sum-momentum distribution of single and double ionization of CO molecules by using circularly and elliptically polarized femtosecond laser pulses,…

Atomic Physics · Physics 2015-06-04 J. Wu , L. Ph. H. Schmidt , M. Kunitski , M. Meckel , S. Voss , H. Sann , H. Kim , T. Jahnke , A. Czasch , R. Dörner

As camera pixel arrays have grown larger and faster, and optical microscopy techniques ever more refined, there has been an explosion in the quantity of data acquired during routine light microcopy. At the single-molecule level, analysis…

Biomolecules · Quantitative Biology 2021-07-07 Jack W Shepherd , Ed J Higgins , Adam J M Wollman , Mark C Leake

Software vulnerabilities are a fundamental cause of cyber attacks. Effectively identifying these vulnerabilities is essential for robust cybersecurity, yet it remains a complex and challenging task. In this paper, we present SafePyScript, a…

Software Engineering · Computer Science 2024-11-04 Talaya Farasat , Atiqullah Ahmadzai , Aleena Elsa George , Sayed Alisina Qaderi , Dusan Dordevic , Joachim Posegga

We present pySecDec, a new version of the program SecDec, which performs the factorisation of dimensionally regulated poles in parametric integrals, and the subsequent numerical evaluation of the finite coefficients. The algebraic part of…

High Energy Physics - Phenomenology · Physics 2017-11-28 S. Borowka , G. Heinrich , S. Jahn , S. P. Jones , M. Kerner , J. Schlenk , T. Zirke

We have developed an application for studying heavy ion fusion barrier characteristics such as such as fusion barrier heights ($V_B$), positions ($R_B$) and curvature of the inverted parabola ($\hbar\omega$). We call this application as…

Nuclear Theory · Physics 2025-06-18 H. C. Manjunatha , P. S. Damodara Gupta , N. Sowmya , K. N. Sridhar

This article is a sequel to "GPU implementation of a ray-surface intersection algorithm in CUDA" (arXiv:2209.02878) [1]. Its main focus is PyCUDA which represents a Python scripting approach to GPU run-time code generation in the Compute…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-05 Raymond Leung

A model for quantum tunnelling of a cluster comprising A identical particles, coupled by oscillator-type potential, through short-range repulsive potential barriers is introduced for the first time in the new symmetrized-coordinate…

We examine the effect of laser focusing on the potential of a recently discussed scheme [M.F. Ciappina {\em et al}, Phys. Rev. A 99, 043405 (2019); Las. Phys. Lett. 17, 025301 (2020)] for in situ determination of ultra-high intensities of…

Atomic Physics · Physics 2020-02-27 M. F. Ciappina , E. E. Peganov , S. V. Popruzhenko

PROCESS is a reactor systems code - it assesses the engineering and economic viability of a hypothetical fusion power station using simple models of all parts of a reactor system. PROCESS allows the user to choose which constraints to…

Instrumentation and Detectors · Physics 2016-11-24 M Kovari , F. Fox , C. Harrington , R. Kembleton , P. Knight , H. Lux , J. Morris

We consider simple models of tunneling of an object with intrinsic degrees of freedom. This important problem was not extensively studied until now, in spite of numerous applications in various areas of physics and astrophysics. We show…

Nuclear Theory · Physics 2008-11-26 C. A. Bertulani , V. V. Flambaum , V. G. Zelevinsky

Perturbative treatments of the lattice dynamics are widely successful for many crystalline materials, their applicability is, however, limited for strongly anharmonic systems, metastable crystal structures and liquids. The full dynamics of…

Materials Science · Physics 2023-10-10 Erik Fransson , Mattias Slabanja , Paul Erhart , Göran Wahnström

Resolving in time the dynamics of light absorption by atoms and molecules, and the electronic rearrangement this induces, is among the most challenging goals of attosecond spectroscopy. The attoclock is an elegant approach to this problem,…

Given the ubiquity of lattice models in physics, it is imperative for researchers to possess robust methods for quantifying clusters on the lattice --- whether they be Ising spins or clumps of molecules. Inspired by biophysical studies, we…

Computational Physics · Physics 2019-07-24 Everest Law
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