Deep Learning of Radiative Atmospheric Transfer with an AutoencoderAs electro-optical energy from the sun propagates through the atmosphere it is affected by radiative transfer effects including absorption, emission, and scattering. Modeling these affects is…Abigail Basener, Bill Basener·Jul 21, 2022SaveLearn
A comprehensive study of non-adaptive and residual-based adaptive sampling for physics-informed neural networksPhysics-informed neural networks (PINNs) have shown to be an effective tool for solving forward and inverse problems of partial differential equations (PDEs). PINNs embed the PDEs into the loss of…Chenxi Wu, Min Zhu, Qinyang Tan et al.·Jul 21, 2022SaveLearn
NeuralNEB -- Neural Networks can find Reaction Paths FastQuantum mechanical methods like Density Functional Theory (DFT) are used with great success alongside efficient search algorithms for studying kinetics of reactive systems. However, DFT is…Mathias Schreiner, Arghya Bhowmik, Tejs Vegge et al.·Jul 20, 2022SaveLearn
Numerical modelling of imposed magnetohydrodynamic effects in hypersonic flowsWeakly ionised plasmas, formed in high enthalpy hypersonic flows, can be actively manipulated via imposed magnetic fields - a concept termed magnetohydrodynamic (MHD) flow control. Imposed MHD…Heather A. Muir, Nikos Nikiforakis·Jul 20, 2022SaveLearn
Variance Reduction and Noise Source Sampling Techniques for Monte Carlo Simulations of Neutron Noise Induced by Mechanical VibrationsNeutron noise in nuclear power reactors refers to the small fluctuations around the average neutron flux at steady state resulting from time-dependent perturbations inside the core. The neutron noise…Hunter Belanger, Davide Mancusi, Amélie Rouchon et al.·Jul 20, 2022SaveLearn
A six-point neuron-based ENO (NENO6) scheme for compressible fluid dynamicsIn this work, we introduce a deep artificial neural network (ANN) that can detect locations of discontinuity and build a six-point ENO-type scheme based on a set of smooth and discontinuous training…Yue Li, Lin Fu, Nikolaus A. Adams·Jul 18, 2022SaveLearn
BIP: Boost Invariant Polynomials for Efficient Jet TaggingDeep Learning approaches are becoming the go-to methods for data analysis in High Energy Physics (HEP). Nonetheless, most physics-inspired modern architectures are computationally inefficient and…Jose M Munoz, Ilyes Batatia, Christoph Ortner·Jul 17, 2022SaveLearn
Martini 3 Coarse-Grained Force Field for CarbohydratesThe Martini 3 force field is a full re-parametrization of the Martini coarse-grained model for biomolecular simulations. Due to the improved interaction balance it allows for more accurate…Fabian Grünewald, Mats H. Punt, Elizabeth E. Jefferys et al.·Jul 12, 2022SaveLearn
Accurate Kohn-Sham auxiliary system from the ground state density of solidsThe Kohn-Sham (KS) system is an auxiliary system whose effective potential is unknown in most cases. It is in principle determined by the ground state density, and it has been found numerically for…Ayoub Aouina, Matteo Gatti, Siyuan Chen et al.·Jul 8, 2022SaveLearn
Investigations of an effective time-domain boundary condition for quiscent viscothermal acousticsAccurate simulations of sound propagation in narrow geometries need to account for viscous and thermal losses. In this respect, effective boundary conditions that model viscothermal losses in…Linus Hägg, Martin Berggren·Jul 7, 2022SaveLearn
Reservoir Computing with 3D Nanowire NetworksNetworks of nanowires are currently being explored for a range of applications in brain-like (or neuromorphic) computing, and especially in reservoir computing (RC). Fabrication of real-world…R. K. Daniels, J. B. Mallinson, Z. E. Heywood et al.·Jul 7, 2022SaveLearn
Sigma basis sets: a new family of GTO basis sets for molecular calculationsA new family of Gaussian-type basis sets named sigma basis sets is presented and preliminarily tested. Sigma basis sets for H, C, N, O and P are reported and their performance is tested in some…Ignacio Ema, Guillermo Ramírez, Rafael López et al.·Jul 6, 2022SaveLearn
A non column based fully unstructured implementation of Kessler s microphysics with warm rain using continuous and discontinuous spectral elementsNumerical weather prediction is pushing the envelope of grid resolution at local and global scales alike. Aiming to model topography with higher precision, a handful of articles introduced…Yassine Tissaoui, Simone Marras, Annalisa Quaini et al.·Jul 5, 2022SaveLearn
Self-starting microring laser solitons from the periodic cubic complex Ginzburg-Landau equationDissipative Kerr solitons are optical pulses propagating in a nonlinear dielectric waveguide without dispersing. These attractive properties have spurred much research into integrated soliton…Martin Franckie·Jul 4, 2022SaveLearn
j-Wave: An open-source differentiable wave simulatorWe present an open-source differentiable acoustic simulator, j-Wave, which can solve time-varying and time-harmonic acoustic problems. It supports automatic differentiation, which is a program…Antonio Stanziola, Simon R. Arridge, Ben T. Cox et al.·Jun 30, 2022SaveLearn
SporTran: a code to estimate transport coefficients from the cepstral analysis of (multivariate) current time seriesSporTran is a Python utility designed to estimate generic transport coefficients in extended systems, based on the Green-Kubo theory of linear response and the recently introduced cepstral analysis…Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi et al.·Jun 30, 2022SaveLearn
Weighted ensemble: Recent mathematical developmentsThe weighted ensemble (WE) method, an enhanced sampling approach based on periodically replicating and pruning trajectories in a set of parallel simulations, has grown increasingly popular for…D. Aristoff, J. Copperman, G. Simpson et al.·Jun 29, 2022SaveLearn
A sweep-based low-rank method for the discrete ordinate transport equationThe dynamical low-rank (DLR) approximation is an efficient technique to approximate the solution to matrix differential equations. Recently, the DLR method was applied to radiation transport…Zhuogang Peng, Ryan G. McClarren·Jun 29, 2022SaveLearn
Performance analysis of high-resolution ice sheet simulationsNumerical ice sheet models compute evolving ice geometry and velocity fields using various stress-balance approximations and boundary conditions. At high spatial resolution, with horizontal mesh/grid…Ed Bueler·Jun 29, 2022SaveLearn
Many recent density functionals are numerically ill-behavedMost computational studies in chemistry and materials science are based on the use of density functional theory. Although the exact density functional is unknown, several density functional…Susi Lehtola, Miguel A. L. Marques·Jun 28, 2022SaveLearn
Computational Model for Granular Flows based on the Lagrangian Particle MethodA numerical model and parallel software for 3D simulations of granular flows have been developed based on the Lagrangian particle (LP) method [R.Samulyak, X. Wang, H.-C. Chen, Lagrangian particle…Mario Zepeda, Roman Samulyak·Jun 28, 2022SaveLearn
Dimensionality reduction of Poisson's equation with application to particle-in-cell simulations of Hall thrustersIn this article, we introduce a novel dimensionality reduction formulation for the Poisson's equation in the Vlasov-Poisson system that yields a reduced-order particle-in-cell scheme. This scheme…Maryam Reza, Farbod Faraji, Aaron Knoll·Jun 28, 2022SaveLearn
Modal analysis of electromagnetic resonators: user guide for the MAN programAll electromagnetic systems, in particular resonators or antennas, have resonances with finite lifetimes. The associated eigenstates, also called quasinormal modes, are essentially non-Hermitian and…T. Wu, D. Arrivault, W. Yan et al.·Jun 28, 2022SaveLearn
UGKWP for three-dimensional simulation of gas-particle fluidized bedThe gas-solid particle two-phase flow in a fluidized bed shows complex physics. Following our previous work, the multi-scale framework based on gas-kinetic scheme (GKS) and unified gas-kinetic…Xiaojian Yang, Yufeng Wei, Wei Shyy et al.·Jun 28, 2022SaveLearn
Numerically Robust Methodology for Fitting Current-Voltage Characteristics of Solar Devices with the Single-Diode Equivalent-Circuit ModelFor experimental and simulated solar cells and modules discrete current-voltage data sets are measured. To evaluate the quality of the device, this data needs to be fitted, which is often achieved…Mario Zinßer·Jun 27, 2022SaveLearn