English
Related papers

Related papers: The Hydra String Method: A Novel Means to Explore …

200 papers

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

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

Granular materials such as sand, powders, and food grains are ubiquitous in civil engineering, geoscience, agriculture, and medicine. While the influence of friction between the grains on the static structure of these systems is well…

Soft Condensed Matter · Physics 2024-05-16 Qinghao Mao , Yujie Wang , Walter Kob

We introduce an efficient and accurate alternative to full hydrodynamic simulations, Hydro-PM (HPM), for the study of the low column density Lyman-alpha forest. It consists of a Particle-Mesh solver, modified to compute, in addition to the…

Astrophysics · Physics 2009-10-30 Nickolay Y. Gnedin , Lam Hui

"Granular elasticity," useful for calculating static stress distributions in granular media, is generalized by including the effects of slowly moving, deformed grains. The result is a hydrodynamic theory for granular solids that agrees well…

Soft Condensed Matter · Physics 2009-11-13 Yimin Jiang , Mario Liu

Classical physical modelling with associated numerical simulation (model-based), and prognostic methods based on the analysis of large amounts of data (data-driven) are the two most common methods used for the mapping of complex physical…

Computational Engineering, Finance, and Science · Computer Science 2023-07-11 Derick Nganyu Tanyu , Isabel Michel , Andreas Rademacher , Jörg Kuhnert , Peter Maass

Micro-structured materials consisting of an array of microstructures are engineered to provide the specific material properties. This present work investigates the design of cellular materials under the framework of level set, so as to…

Computational Engineering, Finance, and Science · Computer Science 2018-11-13 Jie Gao , Hao Li , Zhen Luo , Liang Gao , Peigen Li

Discovering new solid-state materials requires rapidly exploring the vast space of crystal structures and locating stable regions. Generating stable materials with desired properties and compositions is extremely difficult as we search for…

Machine Learning · Computer Science 2024-11-08 Tri Minh Nguyen , Sherif Abdulkader Tawfik , Truyen Tran , Sunil Gupta , Santu Rana , Svetha Venkatesh

Context. Filamentary structures appear to be ubiquitous in the interstellar medium. Being able to detect and characterize them is the first step toward understanding their origin, their evolution, and their role in the Galactic cycle of…

Astrophysics of Galaxies · Physics 2022-12-14 J. -S. Carrière , L. Montier , K. Ferrière , I. Ristorcelli

Monitoring structures of elastic materials for defect detection by means of ultrasound waves (Structural Health Monitoring, SHM) demands for an efficient computation of parameters which characterize their mechanical behavior.…

Numerical Analysis · Mathematics 2019-11-13 Rebecca Klein , Thomas Schuster , Anne Wald

The terminology granular matter refers to systems with a large number of hard objects (grains) of mesoscopic size ranging from millimeters to meters. Geological examples include desert sand and the rocks of a landslide. But the scope of…

Statistical Mechanics · Physics 2007-09-05 James W. Dufty

Optimization of atomic structures presents a challenging problem, due to their highly rough and non-convex energy landscape, with wide applications in the fields of drug design, materials discovery, and mechanics. Here, we present a graph…

Machine Learning · Computer Science 2023-06-21 Vaibhav Bihani , Sahil Manchanda , Srikanth Sastry , Sayan Ranu , N. M. Anoop Krishnan

A method is presented that can find the global minimum of very complex condensed matter systems. It is based on the simple principle of exploring the configurational space as fast as possible and of avoiding revisiting known parts of this…

Materials Science · Physics 2007-05-23 Stefan Goedecker

There is growing interest in engineering unconventional computing devices that leverage the intrinsic dynamics of physical substrates to perform fast and energy-efficient computations. Granular metamaterials are one such substrate that has…

Machine Learning · Computer Science 2024-04-09 Atoosa Parsa , Corey S. O'Hern , Rebecca Kramer-Bottiglio , Josh Bongard

Granular materials such as sand, powders, and grains are omnipresent in daily life, industrial applications, and earth-science [1]. When unperturbed, they form stable structures that resemble the ones of other amorphous solids like metallic…

Soft Condensed Matter · Physics 2023-01-19 Ye Yuan , Zhikun Zeng , Yi Xing , Houfei Yuan , Shuyang Zhang , Walter Kob , Yujie Wang

Recently, the application of machine learning models has gained momentum in natural sciences and engineering, which is a natural fit due to the abundance of data in these fields. However, the modeling of physical processes from simulation…

Machine Learning · Computer Science 2021-05-05 Andreas Mayr , Sebastian Lehner , Arno Mayrhofer , Christoph Kloss , Sepp Hochreiter , Johannes Brandstetter

Granular elasticity, an elasticity theory useful for calculating static stress distribution in granular media, is generalized to the dynamic case by including the plastic contribution of the strain. A complete hydrodynamic theory is derived…

Soft Condensed Matter · Physics 2010-10-14 Yimin Jiang , Mario Liu

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

Materials Science · Physics 2009-11-07 Stefano Curtarolo , Gerbrand Ceder

Graph Representation Learning (GRL) has become central for characterizing structures of complex networks and performing tasks such as link prediction, node classification, network reconstruction, and community detection. Whereas numerous…

Social and Information Networks · Computer Science 2023-08-10 Nikolaos Nakis , Abdulkadir Çelikkanat , Sune Lehmann Jørgensen , Morten Mørup

From construction materials, such as sand or asphalt, to kitchen ingredients, like rice, sugar, or salt; the world is full of granular materials. Despite impressive progress in robotic manipulation, manipulating and interacting with…

Robotics · Computer Science 2023-03-31 Nikhilesh Alatur , Olov Andersson , Roland Siegwart , Lionel Ott