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We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived…

Soft Condensed Matter · Physics 2015-06-17 Shuanhu Qi , Hans Behringer , Friederike Schmid

It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…

Computational Physics · Physics 2014-07-28 Hao Zhang , F. Xavier Trias , Assensi Oliva , Dongmin Yang , Yuanqiang Tan , Shi Shu , Yong Sheng

PySDM is an open-source Python package for simulating the dynamics of particles undergoing condensational and collisional growth, interacting with a fluid flow and subject to chemical composition changes. It is intended to serve as a…

PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…

Computational Physics · Physics 2025-04-18 Adalberto Perez , Siavash Toosi , Tim Felle Olsen , Stefano Markidis , Philipp Schlatter

Acellular slime mould Physarum polycephalum is a monstrously large single cell visible by an unaided eye. It shows sophisticated behavioural traits in foraging for nutrients and developing an optimal transport network of protoplasmic tubes…

Pattern Formation and Solitons · Physics 2013-05-17 Andrew Adamatzky

Due to its flexible architecture, FPGAs support unique, deep hardware pipeline implementations for accelerating HPC applications. However, these devices are quite new in the HPC space, and thus, have been scarcely explored outside some…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-28 Nicolas Lee Guidotti

Many cytoskeletal systems are now sufficiently well known to permit their precise quantitative modelling. Microtubule and actin filaments are well characterized, and the associated proteins are often known, as well as their abundance and…

Quantitative Methods · Quantitative Biology 2022-05-30 Carlos A. Lugo , Eashan Saikia , Francois Nedelec

The development of sputtering facilities, at the moment, is mainly pursued through experimental tests, or simply by expertise in the field, and relies much less on numerical simulation of the process environment. This leads to great efforts…

Computational Engineering, Finance, and Science · Computer Science 2012-09-13 Antonio A. Gentile

PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…

Soft Condensed Matter · Physics 2023-08-25 D. A. Matoz-Fernandez , Siyu Li , Monica Olvera de la Cruz , Rastko Sknepnek

A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…

Computational Physics · Physics 2013-10-10 You-Liang Zhu , Hong Liu , Zhan-Wei Li , Hu-Jun Qian , Giuseppe Milano , Zhong-Yuan Lu

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools, a complex software stack, as well as large and scalable compute and data analysis resources…

Computational Engineering, Finance, and Science · Computer Science 2015-08-17 Brian Drawert , Michael Trogdon , Salman Toor , Linda Petzold , Andreas Hellander

In this paper, we theoretically and numerically demonstrate a two-dimensional Metal-Dielectric-Metal (MDM) waveguide based on finite-difference time-domain simulation of the propagation characteristics of surface plasmon polaritons (SPPs).…

Optics · Physics 2009-02-10 Xian-Shi Lin , Xu-Guang Huang

The rapid growth of scientific software has created practical barriers for bioinformatics research. Although powerful statistical, artificial intelligence (AI)-based methods are now widely available, their effective use is often hindered by…

Software Engineering · Computer Science 2026-04-24 Simon Süwer , Zoe Chervontseva , Kester Bagemihl , Jan Baumbach , Olga Tsoy , Andreas Maier

Plasmonic metasurfaces enable simultaneous control of the phase, momentum, amplitude and polarisation of light and hence promise great utility in realisation of compact photonic devices. In this paper, we demonstrate a novel chip-scale…

We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source software to design custom Coarse-Grained (CG) models, as well as pre-defined models of polyelectrolytes, peptides and globular proteins in the Extensible…

The work is devoted to the development of an information system ISANM that will be useful for teaching students and applicable in the work of engineers and researchers for automating the analysis of colloidal structure morphology. The ISANM…

Soft Condensed Matter · Physics 2025-07-22 Ludia T. Khusainova , Konstantin S. Kolegov

We generalize a support vector machine to a support spinor machine by using the mathematical structure of wedge product over vector machine in order to extend field from vector field to spinor field. The separated hyperplane is extended to…

Machine Learning · Computer Science 2017-09-18 Kabin Kanjamapornkul , Richard Pinčák , Sanphet Chunithpaisan , Erik Bartoš

By applying a slow curing process, we show that biomolecules can be incorporated via a simple process as liquid stable phases inside a polydimethylsiloxane (PDMS) matrix. The process is carried out under mild conditions with regards to…

Molecular self-assembly will not become a routine method for building nanomaterials unless our ability to predict the outcome of this process is dramatically improved. Even then, reliable strategies for realizing molecular assemblies with…

Materials Science · Physics 2022-04-22 Daniel M. Packwood

SPYTHIA is an event level Monte Carlo program which simulates particle production and decay at lepton and hadron colliders in the Minimal Supersymmetric Standard Model (MSSM). It is an extension of PYTHIA 5.7, with all of its previous…

High Energy Physics - Phenomenology · Physics 2014-11-17 S. Mrenna