Approximating the solution to wave propagation using deep neural networksHumans gain an implicit understanding of physical laws through observing and interacting with the world. Endowing an autonomous agent with an understanding of physical laws through experience and…Wilhelm E. Sorteberg, Stef Garasto, Alison S. Pouplin et al.·Dec 4, 2018SaveLearn
Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid SupercomputersThe capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly large…Mauro Calderara, Sascha Brueck, Andreas Pedersen et al.·Dec 4, 2018SaveLearn
Acceleration of three-dimensional Tokamak magnetohydrodynamical code with graphics processing unit and OpenACC heterogeneous parallel programmingIn this paper, the OpenACC heterogeneous parallel programming model is successfully applied to modification and acceleration of the three-dimensional Tokamak magnetohydrodynamical code (CLTx).…H. W. Zhang, J. Zhu, Z. W. Ma et al.·Dec 3, 2018SaveLearn
Two-dimensional spin-valley-coupled Dirac semimetals in functionalized SbAs monolayersIn the presence of spin-orbit coupling (SOC), achieving both spin and valley polarized Dirac state is significant to promote the fantastic integration of Dirac physics, spintronics and valleytronics.…Zhifeng Liu, Wangxiang Feng, Hongli Xin et al.·Dec 3, 2018SaveLearn
A simplified finite volume lattice Boltzmann method for simulations of fluid flows from laminar to turbulent regime, Part II: Extension towards turbulent flow simulationIn this paper, the finite volume lattice Boltzmann method (FVLBM) on unstructured grid presented in Part I of this paper is extended to simulate the turbulent flows. To model the turbulent effect,…Yong Wang, Chengwen Zhong, Jun Cao et al.·Dec 2, 2018SaveLearn
A simplified finite volume lattice Boltzmann method for simulations of fluid flows from laminar to turbulent regime, Part I: Numerical framework and its application to laminar flow simulationIn this paper, a finite volume lattice Boltzmann method (FVLBM) based on cell-center unstructured girds is presented and full studied to simulate the incompressible laminar flows, which is simple…Yong Wang, Chengwen Zhong, Jun Cao et al.·Dec 2, 2018SaveLearn
Comparing optimization strategies for force field parameterizationClassical molecular dynamics (MD) simulations enable modeling of materials and examination of microscopic details that are not accessible experimentally. The predictive capability of MD relies on the…Fatih G. Sen, Badri Narayanan, Jeffrey Larson et al.·Dec 2, 2018SaveLearn
A coarse-grid incremental pressure-projection method for accelerating low Reynolds-number incompressible flow simulationsCoarse grid projection (CGP) multigrid techniques are applicable to sets of equations that include at least one decoupled linear elliptic equation. In CGP, the linear elliptic equation is solved on a…A. Kashefi·Dec 1, 2018SaveLearn
An iterative domain decomposition, spectral finite element method on non-conforming meshes suitable for high frequency Helmholtz problemsThe purpose of this research is to describe an efficient iterative method suitable for obtaining high accuracy solutions to high frequency time-harmonic scattering problems. The method allows for…Ryan Galagusz, Steve McFee·Dec 1, 2018SaveLearn
Sensitivity-driven adaptive sparse stochastic approximations in plasma microinstability analysisQuantifying uncertainty in predictive simulations for real-world problems is of paramount importance - and far from trivial, mainly due to the large number of stochastic parameters and significant…Ionut-Gabriel Farcas, Tobias Görler, Hans-Joachim Bungartz et al.·Nov 30, 2018SaveLearn
On sampling of scattering phase functionsMonte Carlo radiative transfer, which has been demonstrated as a successful algorithm for modeling radiation transport through the astrophysical medium, relies on sampling of scattering phase…Jianing Zhang·Nov 30, 2018SaveLearn
A scalable multi-GPU method for semi-implicit fractional-step integration of incompressible Navier-Stokes equationsA new flow solver scalable on multiple Graphics Processing Units (GPUs) for direct numerical simulation of wall-bounded incompressible flow is presented. This solver utilizes a previously reported…Sanghyun Ha, Junshin Park, Donghyun You·Nov 30, 2018SaveLearn
HEP Software Foundation Community White Paper Working Group -- Data Organization, Management and Access (DOMA)Without significant changes to data organization, management, and access (DOMA), HEP experiments will find scientific output limited by how fast data can be accessed and digested by computational…Dario Berzano, Riccardo Maria Bianchi, Ian Bird et al.·Nov 30, 2018SaveLearn
A mass-momentum consistent, Volume-of-Fluid method for incompressible flow on staggered gridsThe computation of flows with large density contrasts is notoriously difficult. To alleviate the difficulty we consider a discretization of the Navier-Stokes equation that advects mass and momentum…T. Arrufat, M. Crialesi-Esposito, D. Fuster et al.·Nov 29, 2018SaveLearn
The mechanism of RNA base fraying: molecular dynamics simulations analyzed with core-set Markov state modelsThe process of RNA base fraying (i.e. the transient opening of the termini of a helix) is involved in many aspects of RNA dynamics. We here use molecular dynamics simulations and Markov state models…Giovanni Pinamonti, Fabian Paul, Frank Noé et al.·Nov 29, 2018SaveLearn
Using ATLAS@Home to exploit extra CPU from busy grid sitesGrid computing typically provides most of the data processing resources for large High Energy Physics experiments. However typical grid sites are not fully utilized by regular workloads. In order to…Wenjing Wu, David Cameron, Qing Di·Nov 29, 2018SaveLearn
Efficient Decomposition of High-Rank TensorsTensors are a natural way to express correlations among many physical variables, but storing tensors in a computer naively requires memory which scales exponentially in the rank of the tensor. This…Adam S. Jermyn·Nov 29, 2018SaveLearn
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state upBuilding on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the last decade.…James S. Spencer, Nick S. Blunt, Seonghoon Choi et al.·Nov 28, 2018SaveLearn
varRhoTurbVOF: a new set of volume of fluid solvers for turbulent isothermal multiphase flows in OpenFOAMThe volume of fluid (VOF) method is a popular approach for multiphase flow modeling. The open-source computational fluid dynamics (CFD) software, OpenFOAM, implements a variety of VOF-based solvers…Wenyuan Fan, Henryk Anglart·Nov 28, 2018SaveLearn
A Riesz-projection-based method for nonlinear eigenvalue problemsWe propose an algorithm for general nonlinear eigenvalue problems to compute physically relevant eigenvalues within a chosen contour. Eigenvalue information is explored by contour integration…Felix Binkowski, Lin Zschiedrich, Sven Burger·Nov 28, 2018SaveLearn
Quasinormal mode solvers for resonators with dispersive materialsOptical resonators are widely used in modern photonics. Their spectral response and temporal dynamics are fundamentally driven by their natural resonances, the so-called quasinormal modes (QNMs),…P. Lalanne, W. Yan, A. Gras et al.·Nov 28, 2018SaveLearn
Pattern Matching and Classification of Clusters in Collision CascadesThe structure of defect clusters formed in a displacement cascade plays a significant role in the micro-structural evolution during irradiation. Molecular dynamics simulations have been widely used…Utkarsh Bhardwaj, Andrea E. Sand, Manoj Warrier·Nov 27, 2018SaveLearn
Characteristic methods and Roe's method for the incompressible two-fluid model for stratified pipe flowThis article examines the use of characteristic methods in stratified two-phase pipe flow simulations for obtaining non-dissipative flow predictions. A Roe scheme and several methods based on the…Andreas Holm Akselsen·Nov 27, 2018SaveLearn
Developing a Bubble Chamber Particle Discriminator Using Semi-Supervised LearningThe identification of non-signal events is a major hurdle to overcome for bubble chamber dark matter experiments such as PICO-60. The current practice of manually developing a discriminator function…B. Matusch, C. Amole, M. Ardid et al.·Nov 27, 2018SaveLearn
Monolithic coupling of implicit material point method with finite element methodA monolithic coupling between the material point method (MPM) and the finite element method (FEM) is presented. The MPM formulation described is implicit, and the exchange of information between…Eugenio Aulisa, Giacomo Capodaglio·Nov 27, 2018SaveLearn