Computational Physics

Authors and titles for recent submissions

• Thu, 12 Dec 2024
• Wed, 11 Dec 2024
• Tue, 10 Dec 2024
• Mon, 9 Dec 2024
• Fri, 6 Dec 2024

See today's new changes

Tue, 10 Dec 2024 (showing 25 of 25 entries )

[19] arXiv:2412.06571 [pdf, html, other]

Title: PyPSA-Spain: an extension of PyPSA-Eur to model the Spanish energy system

Cristobal Gallego-Castillo, Marta Victoria

Comments: 45 pages, 35 figures, 4 appendices

Subjects: Computational Physics (physics.comp-ph)

[20] arXiv:2412.06546 [pdf, html, other]

Title: An efficiency and memory-saving programming paradigm for the unified gas-kinetic scheme

Yue Zhang, Yufeng Wei, Wenpei Long, Kun Xu

Subjects: Computational Physics (physics.comp-ph)

[21] arXiv:2412.06300 [pdf, other]

Title: A Three-Tiered Hierarchical Computational Framework Bridging Molecular Systems and Junction-Level Charge Transport

Xuan Ji, Qiang Qi, Yueqi Chen, Chen Zhou, Xi Yu

Subjects: Computational Physics (physics.comp-ph)

[22] arXiv:2412.06077 [pdf, html, other]

Title: Scope of physics-based simulation artefacts

Martin Thomas Horsch, Fadi Al Machot, Jadran Vrabec

Subjects: Computational Physics (physics.comp-ph)

[23] arXiv:2412.05714 [pdf, other]

Title: Finite Element Neural Network Interpolation. Part II: Hybridisation with the Proper Generalised Decomposition for non-linear surrogate modelling

Alexandre Daby-Seesaram, Kateřina Škardová, Martin Genet

Comments: 27 pages, 16 figures

Subjects: Computational Physics (physics.comp-ph)

[24] arXiv:2412.05443 [pdf, html, other]

Title: Thermal Slip Length at a Liquid/Solid Interface: Power Law Relations From Spatial and Frequency Attributes of the Contact Layer

Hiroki Kaifu, Sandra M. Troian

Comments: 18 pages; 7 figures

Subjects: Computational Physics (physics.comp-ph); Mesoscale and Nanoscale Physics (cond-mat.mes-hall)

[25] arXiv:2412.06686 (cross-list from cs.LG) [pdf, html, other]

Title: Some Best Practices in Operator Learning

Dustin Enyeart, Guang Lin

Comments: arXiv admin note: substantial text overlap with arXiv:2412.04578

Subjects: Machine Learning (cs.LG); Computational Physics (physics.comp-ph)

[26] arXiv:2412.06677 (cross-list from cond-mat.mes-hall) [pdf, html, other]

Title: Can Neural Networks Learn Nanoscale Friction?

Mahboubeh Shabani, Andrea Silva, Franco Pellegrini, Jin Wang, Renato Buzio, Andrea Gerbi, Andrea Vanossi, Ali Sadeghi, Erio Tosatti

Subjects: Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[27] arXiv:2412.06631 (cross-list from quant-ph) [pdf, html, other]

Title: Recurrent convolutional neural networks for non-adiabatic dynamics of quantum-classical systems

Alex P. Ning, Lingyu Yang, Gia-Wei Chern

Comments: 10 pages, 7 figures

Subjects: Quantum Physics (quant-ph); Computational Physics (physics.comp-ph)

[28] arXiv:2412.06577 (cross-list from cond-mat.soft) [pdf, html, other]

Title: Effect of simple shear on knotted polymer coils and globules

Andrey Milchev, Maurice P. Schmitt, Peter Virnau

Comments: This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 161, 224905 (2024) and may be found at this https URL

Journal-ref: J. Chem. Phys. 161, 224905 (2024)

Subjects: Soft Condensed Matter (cond-mat.soft); Statistical Mechanics (cond-mat.stat-mech); Computational Physics (physics.comp-ph)

[29] arXiv:2412.06449 (cross-list from cond-mat.mtrl-sci) [pdf, other]

Title: High-throughput computational screening of small, eco-friendly, molecular crystals for sustainable piezoelectric materials

Shubham Vishnoi, Geetu Kumari, Robert Guest, Pierre-André Cazade, Sarah Guerin

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[30] arXiv:2412.06270 (cross-list from cond-mat.mtrl-sci) [pdf, other]

Title: Machine learning interatomic potential for the low-modulus Ti-Nb-Zr alloys in the vicinity of dynamical instability

Boburjon Mukhamedov, Ferenc Tasnadi, Igor A. Abrikosov

Comments: 21 pages, 9 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph)

[31] arXiv:2412.06158 (cross-list from stat.ML) [pdf, html, other]

Title: Is the neural tangent kernel of PINNs deep learning general partial differential equations always convergent ?

Zijian Zhou, Zhenya Yan

Comments: 18 pages, 5 figures

Journal-ref: Physica D: Nonlinear Phenomena 457 (2024) 133987

Subjects: Machine Learning (stat.ML); Machine Learning (cs.LG); Mathematical Physics (math-ph); Pattern Formation and Solitons (nlin.PS); Computational Physics (physics.comp-ph)

[32] arXiv:2412.06152 (cross-list from nlin.PS) [pdf, html, other]

Title: Two-dimensional fractional discrete NLS equations: dispersion relations, rogue waves, fundamental and vortex solitons

Ming Zhong, Boris A. Malomed, Jin Song, Zhenya Yan

Comments: 24 pages, 10 figures (to be published in Studies in Applied Mathematics, 2024)

Subjects: Pattern Formation and Solitons (nlin.PS); Quantum Gases (cond-mat.quant-gas); Mathematical Physics (math-ph); Computational Physics (physics.comp-ph); Optics (physics.optics)

[33] arXiv:2412.06110 (cross-list from physics.geo-ph) [pdf, html, other]

Title: Multifidelity Uncertainty Quantification for Ice Sheet Simulations

Nicole Aretz, Max Gunzburger, Mathieu Morlighem, Karen Willcox

Subjects: Geophysics (physics.geo-ph); Atmospheric and Oceanic Physics (physics.ao-ph); Computational Physics (physics.comp-ph); Data Analysis, Statistics and Probability (physics.data-an)

[34] arXiv:2412.06006 (cross-list from cond-mat.mtrl-sci) [pdf, html, other]

Title: A brief introduction to the diffusion Monte Carlo method and the fixed-node approximation

Alfonso Annarelli, Dario Alfè, Andrea Zen

Subjects: Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph); Quantum Physics (quant-ph)

[35] arXiv:2412.05912 (cross-list from math.NA) [pdf, html, other]

Title: A review of low-rank methods for time-dependent kinetic simulations

Lukas Einkemmer, Katharina Kormann, Jonas Kusch, Ryan G. McClarren, Jing-Mei Qiu

Subjects: Numerical Analysis (math.NA); Computational Physics (physics.comp-ph); Plasma Physics (physics.plasm-ph)

[36] arXiv:2412.05773 (cross-list from cond-mat.dis-nn) [pdf, html, other]

Title: Scalable Training of Neural Network Potentials for Complex Interfaces Through Data Augmentation

In Won Yeu, Annika Stuke, Jon L.pez-Zorrilla, James M. Stevenson, David R. Reichman, Richard A. Friesner, Alexander Urban, Nongnuch Artrith

Comments: 32 pages, 7 figures, 20 SI figures

Subjects: Disordered Systems and Neural Networks (cond-mat.dis-nn); Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph)

[37] arXiv:2412.05719 (cross-list from math.NA) [pdf, other]

Title: Finite Element Neural Network Interpolation. Part I: Interpretable and Adaptive Discretization for Solving PDEs

Kateřina Škardová, Alexandre Daby-Seesaram, Martin Genet

Comments: 25 pages, 15 figures

Subjects: Numerical Analysis (math.NA); Machine Learning (cs.LG); Computational Physics (physics.comp-ph)

[38] arXiv:2412.05643 (cross-list from physics.flu-dyn) [pdf, html, other]

Title: Hydrodynamic density-functional theory for the moving contact-line problem reveals fluid structure and emergence of a spatially distinct pattern

Andreas Nold, Benjamin D. Goddard, David N. Sibley, Serafim Kalliadasis

Comments: 43 pages, 20 figures, article to appear soon in Phys. Rev. Fluids

Subjects: Fluid Dynamics (physics.flu-dyn); Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[39] arXiv:2412.05616 (cross-list from quant-ph) [pdf, html, other]

Title: Local fermion-to-qudit mappings

Rodolfo Carobene, Stefano Barison, Andrea Giachero, Jannes Nys

Comments: 17 pages, 6 figures

Subjects: Quantum Physics (quant-ph); Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[40] arXiv:2412.05598 (cross-list from math.NA) [pdf, html, other]

Title: A Diffeomorphic Variable-Step Finite Difference Method

Mário B. Amaro

Comments: 6 pages, 2 figures

Subjects: Numerical Analysis (math.NA); Computational Physics (physics.comp-ph)

[41] arXiv:2412.05550 (cross-list from physics.flu-dyn) [pdf, html, other]

Title: Temporal modulation on mixed convection in turbulent channels

Ao Xu, Rui-Qi Li, Heng-Dong Xi

Comments: 32 pages, 22 figures

Subjects: Fluid Dynamics (physics.flu-dyn); Computational Physics (physics.comp-ph)

[42] arXiv:2412.05472 (cross-list from physics.plasm-ph) [pdf, html, other]

Title: Detection of Surface Waves During Femtosecond Filamentation

Travis Garrett, Anna Janicek, J. Todd Fayard II, Jennifer Elle

Comments: 8 pages, 7 figures

Subjects: Plasma Physics (physics.plasm-ph); Computational Physics (physics.comp-ph); Optics (physics.optics)

[43] arXiv:2412.05329 (cross-list from cs.LG) [pdf, html, other]

Title: Mapping The Layers of The Ocean Floor With a Convolutional Neural Network

Guilherme G. D. Fernandes, Vitor S. P. P. Oliveira, João P. I. Astolfo

Comments: 10 pages, 5 figures. Developed during the 6th Edition of the Advanced School of Experimental Physics (EAFExp), Brazilian Centre for Physics Research

Subjects: Machine Learning (cs.LG); Artificial Intelligence (cs.AI); Computer Vision and Pattern Recognition (cs.CV); Computational Physics (physics.comp-ph); Geophysics (physics.geo-ph)

Mon, 9 Dec 2024 (showing 13 of 13 entries )

[44] arXiv:2412.05031 [pdf, html, other]

Title: Fully independent response in disordered solids

Mengjie Zu, Aayush Desai, Carl P. Goodrich

Subjects: Computational Physics (physics.comp-ph); Disordered Systems and Neural Networks (cond-mat.dis-nn); Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft)

[45] arXiv:2412.04874 [pdf, html, other]

Title: Self-Organizing Complex Networks with AI-Driven Adaptive Nodes for Optimized Connectivity and Energy Efficiency

Azra Seyyedi, Mahdi Bohlouli, SeyedEhsan Nedaaee Oskoee

Subjects: Computational Physics (physics.comp-ph); Networking and Internet Architecture (cs.NI)

[46] arXiv:2412.04676 [pdf, html, other]

Title: Cost optimized ab initio tensor network state methods: industrial perspectives

Andor Menczer, Örs Legeza

Comments: 13 pages, 10 figures

Subjects: Computational Physics (physics.comp-ph); Strongly Correlated Electrons (cond-mat.str-el); Chemical Physics (physics.chem-ph)

[47] arXiv:2412.04480 [pdf, html, other]

Title: Learning Generalized Diffusions using an Energetic Variational Approach

Yubin Lu, Xiaofan Li, Chun Liu, Qi Tang, Yiwei Wang

Subjects: Computational Physics (physics.comp-ph); Dynamical Systems (math.DS)

[48] arXiv:2412.05173 (cross-list from quant-ph) [pdf, other]

Title: Fast Laplace transforms on quantum computers

Julien Zylberman

Subjects: Quantum Physics (quant-ph); Mathematical Physics (math-ph); Computational Physics (physics.comp-ph)

[49] arXiv:2412.04869 (cross-list from cond-mat.mtrl-sci) [pdf, other]

Title: Thermal Stability and Topological Charge Fragmentation in Antiskyrmions of Rhombohedral Barium Titanate

Florian Mayer, Jiří Hlinka

Comments: 13 pages, 5 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Computational Physics (physics.comp-ph)

[50] arXiv:2412.04691 (cross-list from cond-mat.mtrl-sci) [pdf, html, other]

Title: A simple model for longitudinal electron transport during and after laser excitation: Emergence of electron resistive transport

Robert Meadows, Y. Xue, Nicholas Allbritton, G. P. Zhang

Comments: 10 pages, four figures, Accepted for publication in Physics Letters A

Subjects: Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph); Optics (physics.optics); Quantum Physics (quant-ph)

[51] arXiv:2412.04677 (cross-list from cs.LG) [pdf, html, other]

Title: Zephyr quantum-assisted hierarchical Calo4pQVAE for particle-calorimeter interactions

Ian Lu, Hao Jia, Sebastian Gonzalez, Deniz Sogutlu, J. Quetzalcoatl Toledo-Marin, Sehmimul Hoque, Abhishek Abhishek, Colin Gay, Roger Melko, Eric Paquet, Geoffrey Fox, Maximilian Swiatlowski, Wojciech Fedorko

Comments: Neurips ML4PS 2024. 5 Figs, 8 pp

Subjects: Machine Learning (cs.LG); Artificial Intelligence (cs.AI); High Energy Physics - Phenomenology (hep-ph); Computational Physics (physics.comp-ph); Quantum Physics (quant-ph)

[52] arXiv:2412.04647 (cross-list from physics.flu-dyn) [pdf, html, other]

Title: Fluid-structure coupled simulation framework for lightweight explosion containment structures under large deformations

Aditya Narkhede, Shafquat Islam, Xingsheng Sun, Kevin Wang

Subjects: Fluid Dynamics (physics.flu-dyn); Computational Physics (physics.comp-ph)

[53] arXiv:2412.04631 (cross-list from astro-ph.SR) [pdf, html, other]

Title: Deep Learning application for stellar parameters determination: III- Denoising Procedure

Marwan Gebran, Ian Bentley, Rose Brienza, Frédéric Paletou

Comments: 12 pages, 5 figures, accepted for publication in Open Astronomy

Subjects: Solar and Stellar Astrophysics (astro-ph.SR); Astrophysics of Galaxies (astro-ph.GA); Instrumentation and Methods for Astrophysics (astro-ph.IM); Computational Physics (physics.comp-ph)

[54] arXiv:2412.04595 (cross-list from math.NA) [pdf, html, other]

Title: A fast spectral sum-of-Gaussians method for electrostatic summation in quasi-2D systems

Xuanzhao Gao, Shidong Jiang, Jiuyang Liang, Zhenli Xu, Qi Zhou

Comments: 39 pages, 6 figures, 5 tables

Subjects: Numerical Analysis (math.NA); Computational Physics (physics.comp-ph)

[55] arXiv:2412.04578 (cross-list from cs.LG) [pdf, html, other]

Title: Loss Terms and Operator Forms of Koopman Autoencoders

Dustin Enyeart, Guang Lin

Subjects: Machine Learning (cs.LG); Computational Physics (physics.comp-ph)

[56] arXiv:2412.04568 (cross-list from astro-ph.EP) [pdf, html, other]

Title: Machine learning approach for mapping the stable orbits around planets

Tiago F. L. L. Pinheiro, Rafael Sfair, Giovana Ramon

Comments: 12 pages, 13 figures, Accepted for publication in Astronomy & Astrophysics

Subjects: Earth and Planetary Astrophysics (astro-ph.EP); Instrumentation and Methods for Astrophysics (astro-ph.IM); Machine Learning (cs.LG); Computational Physics (physics.comp-ph)

Fri, 6 Dec 2024 (showing 9 of 9 entries )

[57] arXiv:2412.04338 [pdf, html, other]

Title: Numerical Aspects of Large Deviations

Alexander K. Hartmann

Comments: Lectures notes for lectures given at 2024 Les Houches Summer School on "Large deviations and applications". For C Codes see DARE (Oldenburg University resarch data repository) at this http URL

Subjects: Computational Physics (physics.comp-ph); Data Analysis, Statistics and Probability (physics.data-an)

[58] arXiv:2412.03970 [pdf, html, other]

Title: A Data-Driven Framework for Discovering Fractional Differential Equations in Complex Systems

Xiangnan Yu, Hao Xu, Zhiping Mao, HongGuang Sun, Yong Zhang, Dongxiao Zhang, Yuntian Chen

Subjects: Computational Physics (physics.comp-ph); Artificial Intelligence (cs.AI)

[59] arXiv:2412.03734 [pdf, html, other]

Title: A Modified Bisecting K-Means for Approximating Transfer Operators: Application to the Lorenz Equations

Andre N. Souza, Simone Silvestri

Subjects: Computational Physics (physics.comp-ph)

[60] arXiv:2412.04035 (cross-list from cond-mat.mtrl-sci) [pdf, other]

Title: Two-dimensional \b{eta}-phase copper iodide: a promising candidate for low-temperature thermoelectric applications

Bingquan Peng, Yinshuo Li, Liang Chen

Comments: 6

Subjects: Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph)

[61] arXiv:2412.03831 (cross-list from cs.LG) [pdf, other]

Title: A large language model-type architecture for high-dimensional molecular potential energy surfaces

Xiao Zhu, Srinivasan S. Iyengar

Subjects: Machine Learning (cs.LG); Atomic and Molecular Clusters (physics.atm-clus); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[62] arXiv:2412.03794 (cross-list from cond-mat.str-el) [pdf, html, other]

Title: Hubbard Model on the Honeycomb Lattice with an Indefinite Long-Range Interaction

Mohammad-Sadegh Vaezi, Davoud Nasr Esfahani

Journal-ref: Phys. Rev. B 110, 241103 (2024)

Subjects: Strongly Correlated Electrons (cond-mat.str-el); Statistical Mechanics (cond-mat.stat-mech); Computational Physics (physics.comp-ph); Quantum Physics (quant-ph)

[63] arXiv:2412.03763 (cross-list from quant-ph) [pdf, other]

Title: Quantum circuit and mapping algorithms for wavepacket dynamics: case study of anharmonic hydrogen bonds in protonated and hydroxide water clusters

Debadrita Saha, Philip Richerme, Srinivasan S. Iyengar

Subjects: Quantum Physics (quant-ph); Numerical Analysis (math.NA); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[64] arXiv:2412.03672 (cross-list from math.OC) [pdf, other]

Title: Nonlinear Optimal Control of Electron Dynamics within Hartree-Fock Theory

Harish S. Bhat, Hardeep Bassi, Christine M. Isborn

Comments: 8 pages, 2 figures

Subjects: Optimization and Control (math.OC); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph); Machine Learning (stat.ML)

[65] arXiv:2412.03595 (cross-list from physics.ed-ph) [pdf, html, other]

Title: PLUMED Tutorials: a collaborative, community-driven learning ecosystem

Gareth A. Tribello, Massimiliano Bonomi, Giovanni Bussi, Carlo Camilloni, Blake I. Armstrong, Andrea Arsiccio, Simone Aureli, Federico Ballabio, Mattia Bernetti, Luigi Bonati, Samuel G. H. Brookes, Z. Faidon Brotzakis, Riccardo Capelli, Michele Ceriotti, Kam-Tung Chan, Pilar Cossio, Siva Dasetty, Davide Donadio, Bernd Ensing, Andrew L. Ferguson, Guillaume Fraux, Julian D. Gale, Francesco Luigi Gervasio, Toni Giorgino, Nicholas S. M. Herringer, Glen M. Hocky, Samuel E. Hoff, Michele Invernizzi, Olivier Languin-Cattöen, Vanessa Leone, Vittorio Limongelli, Olga Lopez-Acevedo, Fabrizio Marinelli, Pedro Febrer Martinez, Matteo Masetti, Shams Mehdi, Angelos Michaelides, Mhd Hussein Murtada, Michele Parrinello, Pablo M. Piaggi, Adriana Pietropaolo, Fabio Pietrucci, Silvio Pipolo, Claire Pritchard, Paolo Raiteri, Stefano Raniolo, Daniele Rapetti, Valerio Rizzi, Jakub Rydzewski, Matteo Salvalaglio, Christoph Schran, Aniruddha Seal, Armin Shayesteh Zadeh, Tomás F. D. Silva, Vojtěch Spiwok, Guillaume Stirnemann, Daniel Sucerquia, Pratyush Tiwary, Omar Valsson, Michele Vendruscolo, Gregory A. Voth, Andrew D. White, Jiangbo Wu

Comments: 26 pages, 5 figures

Subjects: Physics Education (physics.ed-ph); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)