Computational Physics

Authors and titles for physics.comp-ph in Nov 2022

[1]  arXiv:2211.02979 [pdf, other]

Title: Universal QM/MM Approaches for General Nanoscale Applications

Authors: Katja-Sophia Csizi, Markus Reiher

Comments: 60 pages, 3 figures, 1 table

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

[2]  arXiv:2211.05323 [pdf, ps, other]

Title: Giant excitonic effects in bulk vacancy-ordered double perovskites

Authors: Fan Zhang, Weiwei Gao, Greis J. Cruz, Yi-yang Sun, Peihong Zhang, Jijun Zhao

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

[3]  arXiv:2211.05458 [pdf, other]

Title: A framework for high-fidelity particle tracking on massively parallel systems

Authors: Patrick Kopper, Anna Schwarz, Stephen M. Copplestone, Philip Ortwein, Stephan Staudacher, Andrea Beck

Subjects: Computational Physics (physics.comp-ph)

[4]  arXiv:2211.05868 [pdf, other]

Title: Dynamic Mode Decomposition for Extrapolating Non-equilibrium Green's Functions Dynamics

Authors: Cian C. Reeves, Jia Yin, Yuanran Zhu, Khaled Z. Ibrahim, Chao Yang, Vojtech Vlcek

Subjects: Computational Physics (physics.comp-ph)

[5]  arXiv:2211.06558 [pdf, other]

Title: Ab Initio Generalized Langevin Equation

Authors: Pinchen Xie, Roberto Car, Weinan E

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

[6]  arXiv:2211.07372 [pdf, other]

Title: Lossy Compression of Electron Diffraction Patterns for Ptychography via Change of Basis

Authors: Anton Gladyshev, Thomas C. Pekin, Marcel Schloz, Benedikt Haas, Johannes Müller, Christoph T. Koch

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

[7]  arXiv:2211.07461 [pdf, other]

Title: $p$-adaptive algorithms in Discontinuous Galerkin solutions to the time-domain Maxwell's equations

Authors: Apurva Tiwari, Avijit Chatterjee

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

[8]  arXiv:2211.08149 [pdf, other]

Title: RelaxNet: A structure-preserving neural network to approximate the Boltzmann collision operator

Authors: Tianbai Xiao, Martin Frank

Comments: 44 pages, 27 figures, 11 tables

Subjects: Computational Physics (physics.comp-ph)

[9]  arXiv:2211.09357 [pdf, ps, other]

Title: Elucidating the thermal spike effect by using a coupled classical oscillator model

Authors: Jiajian Guan, Yue He, Bin Liao, Xu Zhang

Comments: 10 pages,6 figures

Subjects: Computational Physics (physics.comp-ph)

[10]  arXiv:2211.09866 [pdf, other]

Title: Fast Uncertainty Estimates in Deep Learning Interatomic Potentials

Authors: Albert Zhu, Simon Batzner, Albert Musaelian, Boris Kozinsky

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

[11]  arXiv:2211.10070 [pdf, other]

Title: An Energy-Conserving Fourier Particle-in-Cell Method with Asymptotic-Preserving Preconditioner for Vlasov-Ampère System with Exact Curl-Free Constraint

Authors: Zhuoning Li, Zhenli Xu, Zhiguo Yang

Comments: 32 pages, 10 figures

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

[12]  arXiv:2211.10559 [pdf, other]

Title: Is there a one-to-one correspondence between interparticle interactions and physical properties of liquid?

Authors: Anatolii V. Mokshin, Roman A. Khabibullin

Comments: 29 pages, 7 figures

Journal-ref: Physica A: Statistical Mechanics and its Applications 608, 128297 (2022)

Subjects: Computational Physics (physics.comp-ph); Disordered Systems and Neural Networks (cond-mat.dis-nn); Soft Condensed Matter (cond-mat.soft); Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph)

[13]  arXiv:2211.10560 [pdf, other]

Title: Analytic preconditioners for decoupled potential integral equations and wideband analysis of scattering from PEC objects

Authors: J. A. Hawkins, L. Baumann, H. M. Aktulga, D. Dault, B. Shanker

Subjects: Computational Physics (physics.comp-ph)

[14]  arXiv:2211.10604 [pdf, other]

Title: Deep-learning electronic-structure calculation of magnetic superstructures

Authors: He Li, Zechen Tang, Xiaoxun Gong, Nianlong Zou, Wenhui Duan, Yong Xu

Journal-ref: Nat. Comput. Sci. 3, 321-327 (2023)

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

[15]  arXiv:2211.10650 [pdf, other]

Title: Modified steady discrete unified gas kinetic scheme for multiscale radiative heat transfer

Authors: Xinliang Song, Yue Zhang, Xiafeng Zhou, Chuang Zhang, Zhaoli Guo

Comments: 23pages,16 figures,2 tables

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

[16]  arXiv:2211.10698 [pdf, other]

Title: A Conservative Cartesian Cut Cell Method for the Solution of the Incompressible Navier-Stokes Equations on Staggered Meshes

Authors: Alejandro Quirós Rodríguez, Tomas Fullana, Vincent Le Chenadec, Taraneh Sayadi

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

[17]  arXiv:2211.10711 [pdf, ps, other]

Title: C-A test of DNA force fields

Authors: Ivan A. Strelnikov, Natalya A. Kovaleva, Artem P. Klinov, Elena A. Zubova

Comments: 14 pages, 4 figures plus one TOC picture, 5 tables

Subjects: Computational Physics (physics.comp-ph); Soft Condensed Matter (cond-mat.soft); Biomolecules (q-bio.BM)

[18]  arXiv:2211.10824 [pdf, other]

Title: Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems

Authors: Yixiao Chen, Linfeng Zhang, Weinan E, Roberto Car

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

[19]  arXiv:2211.10914 [src]

Title: Numerical issues of the two-dimensional Dirac equation

Authors: Jiale Sun, Xiaoshui Lin

Comments: A new and more complete paper (including the idea of this paper but much more detailed and advanced) will be published in several months (The same first author). This paper includes some uncertain descriptions and not-fully-verified claims, and therefore need to be withdrawn to avoid misleading. Please check the new paper when available on arxiv

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

[20]  arXiv:2211.11716 [pdf, other]

Title: Neural tangent kernel analysis of PINN for advection-diffusion equation

Authors: M. H. Saadat, B. Gjorgiev, L. Das, G. Sansavini

Subjects: Computational Physics (physics.comp-ph); Machine Learning (stat.ML)

[21]  arXiv:2211.12133 [pdf, other]

Title: Ultrafast Charge Transfer Enhancement in CdS-MoS2 via Linker Molecule

Authors: Matthew Ciesler, Han Wang, Shengbai Zhang, Damien West

Comments: 7 pages; 6 figures

Subjects: Computational Physics (physics.comp-ph)

[22]  arXiv:2211.12341 [pdf, other]

Title: Gradient Information and Regularization for Gene Expression Programming to Develop Data-Driven Physics Closure Models

Authors: Fabian Waschkowski, Haochen Li, Abhishek Deshmukh, Temistocle Grenga, Yaomin Zhao, Heinz Pitsch, Joseph Klewicki, Richard D. Sandberg

Subjects: Computational Physics (physics.comp-ph)

[23]  arXiv:2211.13351 [pdf, ps, other]

Title: Laser Pulse Duration Optimization With Numerical Methods

Authors: Francesco Capuano, Davorin Peceli, Gabriele Tiboni, Alexandr Špaček, Bedřic Rus

Comments: 4 pages 3 figures - submitted to 2022 PCAPAC Conference

Journal-ref: JACoW-PCaPAC2022

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

[24]  arXiv:2211.13446 [pdf, ps, other]

Title: Nanoporous Structure of Sintered Metal Powder Heat Exchanger in Dilution Refrigeration: A Numerical Study

Authors: Xiaomin Wu, Yi Liao, Jinxin Zhong, Qing Xi, Lifa Zhang, Jun Zhou

Comments: 5 pages,3 figures, one table

Subjects: Computational Physics (physics.comp-ph)

[25]  arXiv:2211.14056 [pdf, other]

Title: Extending MadFlow: device-specific optimization

Authors: Stefano Carrazza, Juan M. Cruz-Martinez, Gabriele Palazzo

Comments: Proceedings ICHEP 2022, 6 pages

Subjects: Computational Physics (physics.comp-ph)