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Molecular assembly offers a promising path to detect life beyond Earth, while minimizing assumptions based on terrestrial life. As mass spectrometers will be central to upcoming Solar System missions, predicting molecular assembly from…

Machine Learning · Computer Science 2025-07-28 Lindsay A. Rutter , Abhishek Sharma , Ian Seet , David Obeh Alobo , An Goto , Leroy Cronin

Selective removal of heavy metals from water is a complex topic. We present a theoretical computational approach, supported by experimental evidences, to design a functionalized nanomaterial that is able to selectively capture metallic ions…

Self-organized monolayers of highly flexible \Frechet dendrons were deposited on graphite surfaces by solution casting. Scanning tunneling microscopy (STM) reveals an unprecedented variety of patterns with up to seven stable hierarchical…

Mesoscale and Nanoscale Physics · Physics 2011-02-18 B. A. Hermann , C. Rohr , M. Balbás Gambra , A. Malecki , M. S. Malarek , E. Frey , T. Franosch

One of the challenges of self-assembling finite-sized colloidal aggregates with a sought morphology is the necessity of precisely sorting the position of the colloids at the microscopic scale to avoid the formation of off-target structures.…

Soft Condensed Matter · Physics 2020-01-31 Pritam Kumar Jana , Bortolo Matteo Mognetti

Deep subwavelength integration of high-definition plasmonic nanostructures is of key importance for the development of future optical nanocircuitry for high-speed communication, quantum computation and lab-on-a-chip applications. So far the…

The plasmodium of Physarum polycephalum is a large single cell visible with the naked eye. When inoculated on a substrate with attractants and repellents the plasmodium develops optimal networks of protoplasmic tubes which span sites of…

Emerging Technologies · Computer Science 2013-10-24 Richard Mayne , David Patton , Ben de Lacy Costello , Andrew Adamatzky , Rosemary Camilla Patton

Self-assembly in natural and synthetic molecular systems can create complex aggregates or materials whose properties and functionality rises from their internal structure and molecular arrangement. The key microscopic features that control…

Soft Condensed Matter · Physics 2021-09-03 Alberto Scacchi , Maria Sammalkorpi , Tapio Ala-Nissila

Molecule generation is central to a variety of applications. Current attention has been paid to approaching the generation task as subgraph prediction and assembling. Nevertheless, these methods usually rely on hand-crafted or external…

Machine Learning · Computer Science 2022-12-20 Xiangzhe Kong , Wenbing Huang , Zhixing Tan , Yang Liu

The self-assembly of DNA-coated colloids controlled by enzymatic reactions has the potential to enable the formation of materials with hierarchical organization and switchable configurations. However, the problem of designing such…

By exploiting the exquisite selectivity of DNA hybridization, DNA-Coated Colloids (DNACCs) can be made to self-assemble in a wide variety of structures. The beauty of this system stems largely from its exceptional versatility and from the…

Soft Condensed Matter · Physics 2016-01-29 Stefano Angioletti-Uberti , Bortolo M. Mognetti , Daan Frenkel

Magnesium nanostructures find increased use in applications for hydrogen storage, catalysis, waste treatment, and heat storage to name a few. Currently, most nanoparticles are made using a chemical synthesis approach, necessitating the use…

Self-assembly of simple molecules into complex phases can be driven by physical constraints, for instance, due to selective molecular uptake by nanoporous surfaces. Despite the significance of surface-mediated assembly in evolution of life,…

Soft Condensed Matter · Physics 2023-11-07 Vamseekrishna Ulaganathan , Anupam Sengupta

We show that a stochastic approach enables calculations of the optical properties of large 2-dimensional and nanotubular excitonic molecular aggregates. Previous studies of such systems relied on numerically diagonalizing the dense and…

Although common in nature, the self-assembly of small molecules at sold-liquid interfaces is difficult to control in artificial systems. The high mobility of dissolved small molecules limits their residence at the interface, typically…

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Materials Science · Physics 2018-10-04 Johannes J. Möller , Wolfgang Körner , Georg Krugel , Daniel F. Urban , Christian Elsässer

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Moving nanoparticles/atoms to study the nearfield interaction between them is one of the many approaches to explore the optical and electrical properties of these assemblies. Traditional approach included the self assembly by spinning or…

Mesoscale and Nanoscale Physics · Physics 2015-01-09 Farbod Shafiei

Alloyed metal nanoparticles are a promising platform for plasmonically enabled hot-carrier generation, which can be used to drive photochemical reactions. Although the non-plasmonic component in these systems has been investigated for its…

Mesoscale and Nanoscale Physics · Physics 2024-08-15 Jakub Fojt , Tuomas P. Rossi , Priyank V. Kumar , Paul Erhart

We report experiments, modeling and numerical simulations of the self--assembly of particle patterns obtained from a nanometric metallic square grid. Initially, nickel filaments of rectangular cross section are patterned on a SiO$_2$ flat…

Self-assembly is one of the crucial mechanisms allowing to design multifunctional materials. Soft hybrid materials contain components of different nature and exhibit competitive interactions which drive self-organisation into structures of…