Improvement of Heatbath Algorithm in LFT using Generative modelsThe Heatbath Algorithm is commonly used for sampling in local lattice field theories, but performing exact updates or sampling from the local density is challenging when dealing with continuous…Ali Faraz, Ankur Singha, Dipankar Chakrabarti et al.·Aug 16, 2023SaveLearn
Accuracy of Kohn-Sham density functional theory for warm- and hot-dense matter equation of stateWe study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accurate ab initio…Phanish Suryanarayana, Arpit Bhardwaj, Xin Jing et al.·Aug 16, 2023SaveLearn
GPU-Native Adaptive Mesh Refinement with Application to Lattice Boltzmann SimulationsAdaptive Mesh Refinement (AMR) enables efficient computation of flows by providing high resolution in critical regions while allowing for coarsening in areas where fine detail is unnecessary. While…Khodr Jaber, Ebenezer Essel, Pierre Sullivan·Aug 16, 2023SaveLearn
Fourier modal method for inverse design of metasurface-enhanced micro-LEDsWe present a simulation capability for micro-scale light-emitting diodes (uLEDs) that achieves comparable accuracy to CPU-based finite-difference time-domain simulation but is more than 107 times…Martin F. Schubert, Alec M. Hammond·Aug 15, 2023SaveLearn
IceCube experience using XRootD-based Origins with GPU workflows in PNRPThe IceCube Neutrino Observatory is a cubic kilometer neutrino telescope located at the geographic South Pole. Understanding detector systematic effects is a continuous process. This requires the…David Schultz, Igor Sfiligoi, Benedikt Riedel et al.·Aug 15, 2023SaveLearn
Optimizing the size of array for modern discrete Fourier transform librariesThe problem of optimization of the array size for modern discrete Fourier transform libraries is considered and reformulated as an integer linear programming problem. Acceleration of finding an…Alexander O. Korotkevich·Aug 15, 2023SaveLearn
Fullwave design of cm-scale cylindrical metasurfaces via fast direct solversLarge-scale metasurfaces promise nanophotonic performance improvements to macroscopic optics functionality, for applications from imaging to analog computing. Yet the size scale mismatch of…Wenjin Xue, Hanwen Zhang, Abinand Gopal et al.·Aug 15, 2023SaveLearn
Kernel Fusion in Atomistic Spin Dynamics Simulations on Nvidia GPUs using Tensor CoreIn atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins N, leading…Hongwei Chen, Shiyang Chen, Joshua J. Turner et al.·Aug 14, 2023SaveLearn
Learning fast, accurate, and stable closures of a kinetic theory of an active fluidImportant classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on…Suryanarayana Maddu, Scott Weady, Michael J. Shelley·Aug 13, 2023SaveLearn
On the Atomic Cluster Expansion: interatomic potentials and beyondThe Atomic Cluster Expansion (ACE) [R. Drautz, Phys. Rev. B, 99:014104 (2019)] provides a systematically improvable, universal descriptor for the environment of an atom that is invariant to…Christoph Ortner·Aug 12, 2023SaveLearn
Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particlesThe ab initio path integral Monte Carlo (PIMC) method is one of the most successful methods in statistical physics, quantum chemistry and related fields, but its application to quantum…Tobias Dornheim, Panagiotis Tolias, Simon Groth et al.·Aug 11, 2023SaveLearn
Treatment of long-range interactions arising in the Enskog-Vlasov description of dense fluidsThe kinetic theory of rarefied gases and numerical schemes based on the Boltzmann equation have evolved to the cornerstone of non-equilibrium gas dynamics. However, their counterparts in the dense…Mohsen Sadr, M. Hossein Gorji·Aug 10, 2023SaveLearn
Motifs in earthquake networks: Romania, Italy, United States of America, and JapanWe present a detailed description of seismic activity in Romania, Italy, and Japan, as well as the California seismic zone in the United States of America, based on the statistical analysis of the…Gabriel Tiberiu Pană, Alexandru Nicolin-Żaczek·Aug 9, 2023SaveLearn
Interaction-induced directional transport on periodically driven chainsWe study a driven system in which interaction between particles causes their directional, coupled movement. In that model system, two particles move alternatingly in time on two coupled chains.…Helena Drüeke, Dieter Bauer·Aug 9, 2023SaveLearn
A Continuous Stochastic Model for Non-Equilibrium Dense GasesWhile accurate simulations of dense gas flows far from the equilibrium can be achieved by Direct Simulation adapted to the Enskog equation, the significant computational demand required for…Mohsen Sadr, M. Hossein Gorji·Aug 8, 2023SaveLearn
Variance extrapolation method for neural-network variational Monte CarloConstructing more expressive ansatz has been a primary focus for quantum Monte Carlo, aimed at more accurate ab initio calculations. However, with more powerful ansatz, e.g. various recent…Weizhong Fu, Weiluo Ren, Ji Chen·Aug 4, 2023SaveLearn
Wasserstein-penalized Entropy closure: A use case for stochastic particle methodsWe introduce a framework for generating samples of a distribution given a finite number of its moments, targeted to particle-based solutions of kinetic equations and rarefied gas flow simulations.…Mohsen Sadr, Nicolas G. Hadjiconstantinou, M. Hossein Gorji·Aug 4, 2023SaveLearn
Benchmarking density functional theory on the prediction of antiferromagnetic transition temperaturesThis study investigates the predictive capabilities of common DFT methods (GGA, GGA+U, and GGA+U+V) for determining the transition temperature of antiferromagnetic insulators. We utilize a…Zahra Mosleh, Mojtaba Alaei·Aug 3, 2023SaveLearn
Surrogate modelling and uncertainty quantification based on multi-fidelity deep neural networkTo reduce training costs, several Deep neural networks (DNNs) that can learn from a small set of HF data and a sufficient number of low-fidelity (LF) data have been proposed. In these established…Zhihui Li, Francesco Montomoli·Aug 2, 2023SaveLearn
Experimental observation of exceptional points in coupled pendulumsThe concept of exceptional point (EP) is demonstrated experimentally in the case of a simple mechanical system consisting of two linearized coupled pendulums. Exceptional points correspond to…Nicolas Even, Benoit Nennig, Gautier Lefebvre et al.·Aug 2, 2023SaveLearn
Efficient reduction of vertex clustering using front tracking with surface normal propagation restrictionA significant computational expense and source of numerical errors in front tracking is the remeshing of the triangulated front, required due to distortion and compaction of the front following the…Christian Gorges, Azur Hodžić, Fabien Evrard et al.·Jul 31, 2023SaveLearn
Multi-scale modeling in thermal conductivity of Polyurethane incorporated with Phase Change Materials using Physics-Informed Neural NetworksPolyurethane (PU) possesses excellent thermal properties, making it an ideal material for thermal insulation. Incorporating Phase Change Materials (PCMs) capsules into Polyurethane (PU) has proven to…Bokai Liu, Yizheng Wang, Timon Rabczuk et al.·Jul 31, 2023SaveLearn
Mechanical response of van der Waals and charge coupled carbon nanotubesThis work investigates the mechanical response of single-walled carbon nanotubes (SWCNTs) coupled through van der Waals and electrostatic forces using molecular dynamic (MD) simulations and a…Aningi Mokhalingam, Indranil S Dalal, Shakti S Gupta·Jul 31, 2023SaveLearn
Self-optimization wavelet-learning method for predicting nonlinear thermal conductivity of highly heterogeneous materials with randomly hierarchical configurationsIn the present work, we propose a self-optimization wavelet-learning method (SO-W-LM) with high accuracy and efficiency to compute the equivalent nonlinear thermal conductivity of highly…Jiale Linghu, Hao Dong, Weifeng Gao et al.·Jul 28, 2023SaveLearn
Characteristic Boundary Condition for Thermal Lattice Boltzmann MethodsWe introduce a non-reflecting boundary condition for the simulation of thermal flows with the lattice Boltzmann Method (LBM). We base the derivation on the locally one-dimensional inviscid analysis,…Friedemann Klass, Alessandro Gabbana, Andreas Bartel·Jul 28, 2023SaveLearn