A Quadratic Programming Flux Correction Method for High-Order DG Discretizations of SN TransportWe present a new flux-fixup approach for arbitrarily high-order discontinuous Galerkin discretizations of the SN transport equation. This approach is sweep-compatible: as the transport sweep is…Ben C. Yee, Samuel S. Olivier, Terry S. Haut et al.·Oct 7, 2019SaveLearn
Numerical and Fitting Approach for Investigation of the Schrödinger Equation for Flat PotentialsIn this study, the Schrodinger equation for flat potentials through the pseudo-perspective method is investigated.Vahid Mirzaei Mahmoud Abadi, Javad Mohammadi·Oct 7, 2019SaveLearn
Planewave density interpolation methods for the EFIE on simple and composite surfacesThis paper presents an extension of the recently introduced planewave density interpolation (PWDI) method to the electric field integral equation (EFIE) formulation of problems of scattering and…Carlos Pérez-Arancibia, Catalin Turc, Luiz Faria et al.·Oct 4, 2019SaveLearn
ZMCintegral-v5: Support for Integrations with the Scanning of Large Parameter Grids on Multi-GPUsIn this updated vesion of ZMCintegral, we have added the functionality of integrations with parameter scan on distributed Graphics Processing Units(GPUs). Given a large parameter grid (up to 1010…Jun-Jie Zhang, Hong-Zhong Wu·Oct 4, 2019SaveLearn
Hybrid multigrid methods for high-order discontinuous Galerkin discretizationsThe present work develops hybrid multigrid methods for high-order discontinuous Galerkin discretizations of elliptic problems. Fast matrix-free operator evaluation on tensor product elements is used…Niklas Fehn, Peter Munch, Wolfgang A. Wall et al.·Oct 4, 2019SaveLearn
Bond Relaxation and Electronic Properties of Two-Dimensional Sb/MoSe2 and Sb/MoTe2 Van der Waals HeterostructuresVan der Waals heterostructures have recently garnered interest for application in high-performance photovoltaic materials. Consequently, understanding the basic electronic characteristics of these…Maolin Bo, Hanze Li, Zhongkai Huang et al.·Oct 4, 2019SaveLearn
Regularized Ensemble Kalman Methods for Inverse ProblemsInverse problems are common and important in many applications in computational physics but are inherently ill-posed with many possible model parameters resulting in satisfactory results in the…Xin-Lei Zhang, Carlos Michelén-Ströfer, Heng Xiao·Oct 3, 2019SaveLearn
Exploring Generative Physics Models with Scientific Priors in Inertial Confinement FusionThere is significant interest in using modern neural networks for scientific applications due to their effectiveness in modeling highly complex, non-linear problems in a data-driven fashion. However,…Rushil Anirudh, Jayaraman J. Thiagarajan, Shusen Liu et al.·Oct 3, 2019SaveLearn
MXE: A package for simulating long-term diffusive mass transport phenomena in nanoscale systemsWe present a package to simulate long-term diffusive mass transport in systems with atomic scale resolution. The implemented framework is based on a non-equilibrium statistical…Juan Pedro Mendez, Mauricio Ponga·Oct 2, 2019SaveLearn
Modernizing Titan2D, a Parallel AMR Geophysical Flow Code to Support Multiple Rheologies and ExtendabilityIn this work, we report on strategies and results of our initial approach for modernization of Titan2D code. Titan2D is a geophysical mass flow simulation code designed for modeling of volcanic…Nikolay A. Simakov, Renette L. Jones-Ivey, Ali Akhavan-Safaei et al.·Oct 2, 2019SaveLearn
Valley- and spin-dependent quantum Hall states in bilayer siliceneThe Hall conductivity σxy of many condensed matter systems presents a step structure when a uniform perpendicular magnetic field is applied. We report the quantum Hall effect in buckled…Thi-Nga Do, Godfrey Gumbs, Po-Hsin Shih et al.·Oct 2, 2019SaveLearn
Predicting materials properties without crystal structure: Deep representation learning from stoichiometryMachine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block.…Rhys E. A. Goodall, Alpha A. Lee·Oct 1, 2019SaveLearn
Variational embedding for quantum many-body problemsQuantum embedding theories are powerful tools for approximately solving large-scale strongly correlated quantum many-body problems. The main idea of quantum embedding is to glue together a highly…Lin Lin, Michael Lindsey·Oct 1, 2019SaveLearn
A coarse-grained deep neural network model for liquid waterWe introduce a coarse-grained deep neural network model (CG-DNN) for liquid water that utilizes 50 rotational and translational invariant coordinates, and is trained exclusively against energies of…Tarak K Patra, Troy D. Loeffler, Henry Chan et al.·Oct 1, 2019SaveLearn
Deep learning at scale for subgrid modeling in turbulent flowsModeling of turbulent flows is still challenging. One way to deal with the large scale separation due to turbulence is to simulate only the large scales and model the unresolved contributions as done…Mathis Bode, Michael Gauding, Konstantin Kleinheinz et al.·Oct 1, 2019SaveLearn
The Density Matrix Renormalization Group in Chemistry and Molecular Physics: Recent Developments and New ChallengesIn the past two decades, the density matrix renormalization group (DMRG) has emerged as an innovative new method in quantum chemistry relying on a theoretical framework very different from that of…Alberto Baiardi, Markus Reiher·Sep 30, 2019SaveLearn
Gauge optimization of time series for thermal-transport simulationsThermal and other transport coefficients were recently shown to be largely independent of the microscopic representation of the energy (current) densities or, more generally, of the relevant…Aris Marcolongo, Loris Ercole, Stefano Baroni·Sep 30, 2019SaveLearn
Effective bandwidth approach for spectral splitting of solar spectrum using diffractive optical elementsSpectral splitting of the sunlight using diffractive optical elements (DOEs) is an effective method to increase the efficiency of solar panels. Here, we design phase-only DOEs by using an iterative…Alim Yolalmaz, Emre Yüce·Sep 30, 2019SaveLearn
Construction of a pathway map on a complicated energy landscapeHow do we search for the entire family tree without unwanted random guesses, starting from a high-index and high-energy stationary state on the energy landscape? Here we introduce a general numerical…Jianyuan Yin, Yiwei Wang, Jeff Z. Y. Chen et al.·Sep 29, 2019SaveLearn
Implicit linearization method for non-standard two-phase flow in porous mediaIn this paper, we consider a non-local (in time) two-phase flow model. The non-locality is introduced through the wettability alteration induced dynamic capillary pressure function. We present a…Abay M. Kassa, Kundan Kumar, Sarah E. Gasda et al.·Sep 29, 2019SaveLearn
Lattice Boltzmann simulations of melting in a rectangular cavity heated locally from below at high Rayleigh numberThis work presented a block triple-relaxation-time (B-TriRT) lattice Boltzmann model for simulating melting in a rectangular cavity heated from below at high Rayleigh (Ra) number (Ra = 108). The test…Yong Zhao, Yao Wu, Zhenhua Chai et al.·Sep 28, 2019SaveLearn
Neural network augmented wave-equation simulationAccurate forward modeling is important for solving inverse problems. An inaccurate wave-equation simulation, as a forward operator, will offset the results obtained via inversion. In this work, we…Ali Siahkoohi, Mathias Louboutin, Felix J. Herrmann·Sep 27, 2019SaveLearn
Computing Residual Diffusivity by Adaptive Basis Learning via Super-Resolution Deep Neural NetworksIt is expensive to compute residual diffusivity in chaotic in-compressible flows by solving advection-diffusion equation due to the formation of sharp internal layers in the advection dominated…Jiancheng Lyu, Jack Xin, Yifeng Yu·Sep 27, 2019SaveLearn
Support Vector Spectrum Approximations: Efficient Calculations of Light Scattering LineshapesMeasuring scattered light is central to many laser-based gas diagnostic techniques, e.g., coherent anti-Stokes Raman spectroscopy (CARS) and filtered Rayleigh scattering (FRS). To produce…Gregory J. Hunt, Cody R. Ground, Robin L. Hunt·Sep 27, 2019SaveLearn
Coupled Cluster Greens function formulations based on the effective HamiltoniansWe demonstrate that the effective Hamiltonians obtained with the downfolding procedure based on double unitary coupled cluster (DUCC) ansatz can be used in the context of Greens function coupled…Nicholas P Bauman, Bo Peng, Karol Kowalski·Sep 27, 2019SaveLearn