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Flexibility governs the many properties of materials and is crucial for the function of proteins and biopolymers. However, how the self-assembly of flexibly bonded particles can lead to larger structures with global reconfigurability is…

Soft Condensed Matter · Physics 2024-06-28 Yogesh Shelke , Daniel J. G. Pearce , Daniela J. Kraft

Combinatorial assembly uses standardized unit primitives to build objects that satisfy user specifications. This paper studies assembly sequence planning (ASP) for physical combinatorial assembly. Given the shape of the desired object, the…

Robotics · Computer Science 2025-03-25 Ruixuan Liu , Alan Chen , Weiye Zhao , Changliu Liu

Structure-based drug design aims at generating high affinity ligands with prior knowledge of 3D target structures. Existing methods either use conditional generative model to learn the distribution of 3D ligands given target binding sites,…

Biomolecules · Quantitative Biology 2024-03-18 Yuwei Yang , Siqi Ouyang , Xueyu Hu , Mingyue Zheng , Hao Zhou , Lei Li

During the last 3 years, our group has investigated extensively the complexation mechanism between neutral-polyelectrolyte block copolymers with oppositely charged species. These species are surfactant micelles, multivalent counterions and…

Soft Condensed Matter · Physics 2007-05-23 J. -F. Berret , P. Herve , M. Morvan , K. Yokota , M. Destarac , J. Oberdisse , I. Grillo , R. Schweins

We present a flexible and scalable approach to address the challenges of charged particle track reconstruction in real-time event filters (Level-1 triggers) in collider physics experiments. The method described here is based on a full-mesh…

We propose a solution strategy for a multimaterial minimum compliance topology optimization problem, which consists in finding the optimal allocation of a finite number of candidate (possibly anisotropic) materials inside a reference…

Numerical Analysis · Mathematics 2018-07-04 Francesco Regazzoni , Nicola Parolini , Marco Verani

A hallmark of living systems is the ability to employ a common set of versatile building blocks that can self-organize into a multitude of different structures, in a way that can be controlled with minimal cost. This capability can only be…

Statistical Mechanics · Physics 2022-01-26 Saeed Osat , Ramin Golestanian

In this paper we present algorithms for collective construction systems in which a large number of autonomous mobile robots trans- port modular building elements to construct a desired structure. We focus on building block structures…

Computational Geometry · Computer Science 2015-03-19 Zachary Fitzsimmons , Robin Flatland

We prove that by successively combining subassemblies, we can achieve sublinear construction times for "staged" assembly of micro-scale objects from a large number of tiny particles, for vast classes of shapes; this is a significant advance…

Computational Geometry · Computer Science 2018-07-05 Arne Schmidt , Sheryl Manzoor , Li Huang , Aaron T. Becker , Sándor P. Fekete

Colloids that interact via a short-range attraction serve as the primary building blocks for a broad range of self-assembled materials. However, one of the well-known drawbacks to this strategy is that these building blocks rapidly and…

Soft Condensed Matter · Physics 2020-09-16 S. A. Mallory , M. L. Bowers , A. Cacciuto

Automatic methods for reconstructing buildings from airborne LiDAR point clouds focus on producing accurate 3D models in a fast and scalable manner, but they overlook the problem of delivering simple and regularized models to practitioners.…

Computational Geometry · Computer Science 2024-04-15 Jean-Philippe Bauchet , Raphael Sulzer , Florent Lafarge , Yuliya Tarabalka

We use computer simulation to investigate the self-assembly of Janus-like amphiphilic peanut-shaped nanoparticles, finding phases of clusters, bilayers and micelles in accord with ideas of packing familiar from the study of molecular…

Soft Condensed Matter · Physics 2010-02-20 Stephen Whitelam , Stefan A. F. Bon

Block copolymer melts offer a unique template to control the position and alignment of nanoparticles due to their ability to self-assemble into periodic ordered structures. Active Brownian particles are shown to co-assemble with block…

Soft Condensed Matter · Physics 2024-03-14 Javier Diaz , Ignacio Pagonabarraga

We use computer simulations to investigate self-assembly in a system of model chaperonin proteins, and in an Ising lattice gas. We discuss the mechanisms responsible for rapid and efficient assembly in these systems, and we use measurements…

Soft Condensed Matter · Physics 2011-12-09 James Grant , Robert L. Jack , Stephen Whitelam

The present study applies a novel two-dimensional learning framework (2D-UPSO) based on particle swarms for structure selection of polynomial nonlinear auto-regressive with exogenous inputs (NARX) models. This learning approach explicitly…

Systems and Control · Computer Science 2018-12-21 Faizal Hafiz , Akshya Swain , Eduardo MAM Mendes , Nitish Patel

In this paper, we explore the feasibility of using coarse-grained models to simulate the self-assembly of DNA nanostructures. We introduce a simple model of DNA where each nucleotide is represented by two interaction sites corresponding to…

Soft Condensed Matter · Physics 2009-10-07 Thomas E. Ouldridge , Iain G. Johnston , Ard A. Louis , Jonathan P. K. Doye

We study theoretically a binary system in which an attraction of unlike particles is combined with a type-independent soft core repulsion. The possible experimental implementation of the system is a mixture of DNA-covered colloids, in which…

Soft Condensed Matter · Physics 2007-05-23 Alexei V. Tkachenko

DNA-mediated multivalent interactions between colloidal particles have been extensively applied for their ability to program bulk phase behaviour and dynamic processes. Exploiting the competition between different types of DNA-DNA bonds,…

Despite tremendous progress in the research on self-assembled nanotechnological building blocks such as macromolecules, nanowires, and two-dimensional materials, synthetic self-assembly methods bridging nanoscopic to macroscopic dimensions…

The surface curvature of membranes, interfaces, and substrates plays a crucial role in shaping the self-assembly of particles adsorbed on these surfaces. However, little is known about the interplay between particle anisotropy and surface…

Soft Condensed Matter · Physics 2025-10-30 Gautam Bordia , Thomas P. Russell , Ahmad K. Omar