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Raman spectroscopy is a widely-used non-destructive material characterization method, which provides information about the vibrational modes of the material and therefore of its atomic structure and chemical composition. Interpretation of…

Computational Physics · Physics 2023-02-09 Mohammad Bagheri , Hannu-Pekka Komsa

A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…

Soft Condensed Matter · Physics 2024-05-01 Toler H. Webb , Daniel M. Sussman

The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…

Graphics · Computer Science 2016-08-31 S. Tomov , M. McGuigan , R. Bennett , G. Smith , J. Spiletic

We propose a simulation-based approach for performance modeling of parallel applications on high-performance computing platforms. Our approach enables full-system performance modeling: (1) the hardware platform is represented by an abstract…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-06 Gen Xu , Huda Ibeid , Xin Jiang , Vjekoslav Svilan , Zhaojuan Bian

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric…

Machine Learning · Computer Science 2023-04-21 Andreas Mayr , Sebastian Lehner , Arno Mayrhofer , Christoph Kloss , Sepp Hochreiter , Johannes Brandstetter

Inverse design of large-area metasurfaces can potentially exploit the full parameter space that such devices offer and achieve highly efficient multifunctional flat optical elements. However, since practically useful flat optics elements…

We present an algorithm named "Chamomile Scheme". The scheme is fully optimized for calculating gravitational interactions on the latest programmable Graphics Processing Unit (GPU), NVIDIA GeForce8800GTX, which has (a) small but fast shared…

Astrophysics · Physics 2007-05-23 Tsuyoshi Hamada , Toshiaki Iitaka

We investigate the flow of spherical, bulk granular particles down an inclined plane mixed with small-sized spherical lubricant particles using discrete element method simulations. Predefined cohesive interaction is implemented between…

Soft Condensed Matter · Physics 2026-04-27 Sayali V. Chaudhary , Ashish V. Orpe

We develop a simulation-based method for the online updating of Gaussian process regression and classification models. Our method exploits sequential Monte Carlo to produce a fast sequential design algorithm for these models relative to the…

Computation · Statistics 2010-07-07 Robert B. Gramacy , Nicholas G. Polson

Action-conditioned video prediction models (often referred to as world models) have shown strong potential for robotics applications, but existing approaches are often slow and struggle to capture physically consistent interactions over…

Interactive high-performance computing is doubtlessly beneficial for many computational science and engineering applications whenever simulation results should be visually processed in real time, i.e. during the computation process.…

Computational Engineering, Finance, and Science · Computer Science 2018-07-03 Ralf-Peter Mundani , Jérôme Frisch , Vasco Varduhn , Ernst Rank

We study the settling of solid particles within a viscous incompressible fluid contained in a two-dimensional channel, where the mass density of the particles is slightly greater than that of the fluid. The fluid-structure interaction…

Fluid Dynamics · Physics 2015-09-07 Sudeshna Ghosh , John M. Stockie

Plasmas with varying collisionalities occur in many applications, such as tokamak edge regions, where the flows are characterized by significant variations in density and temperature. While a kinetic model is necessary for…

Computational Engineering, Finance, and Science · Computer Science 2017-07-27 Debojyoti Ghosh , Mikhail A. Dorf , Milo R. Dorr , Jeffrey A. F. Hittinger

The complexities of today's materials simulations demand computer codes which are both powerful and highly flexible. A researcher should be able to readily choose different geometries, different materials and different algorithms without…

Stochastic simulation techniques employed for the analysis of portfolios of insurance/reinsurance risk, often referred to as `Aggregate Risk Analysis', can benefit from exploiting state-of-the-art high-performance computing platforms. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-08-19 A. K. Bahl , O. Baltzer , A. Rau-Chaplin , B. Varghese , A. Whiteway

This paper describes a 2D and 3D simulation engine that quantitatively models the statics, dynamics, and non-linear deformation of heterogeneous soft bodies in a computationally efficient manner. There is a large body of work simulating…

Graphics · Computer Science 2012-12-13 Jonathan Hiller , Hod Lipson

Granular impact -- the dynamic intrusion of solid objects into granular media -- is widespread across scientific and engineering applications including geotechnics. Existing approaches for simulating granular impact dynamics have relied on…

Soft Condensed Matter · Physics 2022-11-24 Yupeng Jiang , Yidong Zhao , Clarence E. Choi , Jinhyun Choo

Discrete particle simulation methods have been used to study axial segregation in a horizontal rotating cylinder that is partially filled with a mixture of two different kinds of granular particles. Under suitable conditions segregation was…

Soft Condensed Matter · Physics 2016-08-31 D. C. Rapaport

This paper gives an overview of the particle transport theory essentials, the basics of particle-material interaction simulation, physical quantities needed to simulate particle transport and interactions in materials, Monte Carlo…

Accelerator Physics · Physics 2020-06-18 Nikolai Mokhov

We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular…

Biological Physics · Physics 2009-08-05 Wenfei Li , Shoji Takada