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Multi-component polymer systems are of interest in organic photovoltaic and drug delivery applications, among others where diverse morphologies influence performance. An improved understanding of morphology classification, driven by…

Computational Engineering, Finance, and Science · Computer Science 2020-08-27 Pavan Inguva , Lachlan Mason , Indranil Pan , Miselle Hengardi , Omar K. Matar

With inspiration from arthropods' exoskeletons, we designed a simple, easily manufactured, semi-rigid structure with flexible joints that can passively damp impact energy. This exoskeleton fuses the protective shell to the main robot…

Robotics · Computer Science 2021-07-26 Ricardo de Azambuja , Hassan Fouad , Giovanni Beltrame

The regular polyhedra have the highest order of 3D symmetries and are exceptionally at- tractive templates for (self)-assembly using minimal types of building blocks, from nano-cages and virus capsids to large scale constructions like glass…

Computational Geometry · Computer Science 2015-07-31 Muhibur Rasheed , Chandrajit Bajaj

We propose a method for program generation based on semantic scaffolds, lightweight structures representing the high-level semantic and syntactic composition of a program. By first searching over plausible scaffolds then using these as…

Computation and Language · Computer Science 2020-05-13 Ruiqi Zhong , Mitchell Stern , Dan Klein

Graph-SLAM is a well-established algorithm for constructing a topological map of the environment while simultaneously attempting the localisation of the robot. It relies on scan matching algorithms to align noisy observations along robot's…

Robotics · Computer Science 2022-01-20 Giorgio Iavicoli , Claudio Zito

Significant progress in computer hardware and software have enabled molecular dynamics (MD) simulations to model complex biological phenomena such as protein folding. However, enabling MD simulations to access biologically relevant…

Biomolecules · Quantitative Biology 2019-08-02 Heng Ma , Debsindhu Bhowmik , Hyungro Lee , Matteo Turilli , Michael T. Young , Shantenu Jha , Arvind Ramanathan

Nowadays, multiscale modelling is recognized as the most suitable way to study biological processes. Indeed, almost every phenomenon in nature exhibits a multiscale behaviour, i.e., it is the outcome of interactions that occur at different…

Formal Languages and Automata Theory · Computer Science 2011-08-18 Federico Buti , Massimo Callisto De Donato , Flavio Corradini , Emanuela Merelli , Luca Tesei

We develop a numerical framework to simulate the locomotion of a flagellated bacterium with a spheroidal head (such as Escherichia coli) in biological fluids like mucus, which are entangled polymer solutions exhibiting elasto-viscoplastic…

Fluid Dynamics · Physics 2026-04-01 Arjun Sharma , Sabarish V. Narayanan , Sarah Hormozi , Donald L. Koch

Self-assembly due to capillary forces is a common method for generating 2D mesoscale structures from identical floating particles at the liquid-air interface. Designing building blocks to obtain a desired mesoscopic structure is a…

Soft Condensed Matter · Physics 2014-02-11 M. Poty , G. Lumay , N. Vandewalle

Safe Corridors (a series of overlapping convex shapes) have been used recently in multiple state-of-the-art motion planning methods. They allow to represent the free space in the environment in an efficient way for collision avoidance. In…

Robotics · Computer Science 2022-08-17 Charbel Toumieh , Alain Lambert

It has been argued that a central objective of nanotechnology is to make products inexpensively, and that self-replication is an effective approach to very low-cost manufacturing. The research presented here is intended to be a step towards…

Multiagent Systems · Computer Science 2020-08-20 Robert Ewaschuk , Peter D. Turney

The advancement of insect-computer hybrid robots holds significant promise for navigating complex terrains and enhancing robotics applications. This study introduced an automatic assembly method for insect-computer hybrid robots, which was…

We simulate structural phase behavior of polymer-grafted colloidal particles by molecular Monte Carlo technique. Interparticle potential, which has a finite repulsive square-step outside a rigid core of the colloid, was previously confirmed…

Soft Condensed Matter · Physics 2015-03-19 Yuki Norizoe , Toshihiro Kawakatsu

An implementation of the Monte Carlo (MC) phase space generators coupled with adaptive MC integration/simulation program FOAM is presented. The first program is a modification of the classic phase space generator GENBOD interfaced with the…

High Energy Physics - Phenomenology · Physics 2019-04-02 R. A. Kycia , J. Turnau , J. J. Chwastowski , R. Staszewski , M. Trzebiński

Synthetic generation of three-dimensional cell models from histopathological images aims to enhance understanding of cell mutation, and progression of cancer, necessary for clinical assessment and optimal treatment. Classical reconstruction…

Image and Video Processing · Electrical Eng. & Systems 2021-02-09 Yoav Alon , Xiang Yu , Huiyu Zhou

By analogy with Monte Carlo algorithms, we propose new strategies for design and redesign of small molecule libraries in high-throughput experimentation, or combinatorial chemistry. Several Monte Carlo methods are examined, including…

Statistical Mechanics · Physics 2007-05-23 Ligang Chen , Michael W. Deem

Synchrotron X-ray diffraction measurements have been conducted on liquid phosphorus trichloride, tribromide and triiodide. Molecular Dynamics simulations for these molecular liquids were performed with a dual purpose: (1) to establish…

Disordered Systems and Neural Networks · Physics 2014-02-06 Szilvia Pothoczki , László Temleitner , László Pusztai

We present an information-based total-energy optimization method to produce nearly defect-free structural models of amorphous silicon. Using geometrical, structural and topological information from disordered tetrahedral networks, we have…

Disordered Systems and Neural Networks · Physics 2019-01-28 Dil K. Limbu , Raymond Atta-Fynn , Parthapratim Biswas

This work presents a polyhedral scaled boundary finite element method (PSBFEM) for three dimensional seepage analysis. We first derive the scaled boundary formulation for 3D seepage problems, and subsequently incorporate Wachspress shape…

Numerical Analysis · Mathematics 2025-06-11 Mingjiao Yan , Yang Yang , Zongliang Zhang , Dengmiao Hao , Chao Su , Qingsong Duan

Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…