Evolutionary Optimisation of Self Assembling Nano-Designs (ExIStENcE)

自组装纳米设计的进化优化 (ExIStENcE)

• 批准号: EP/H010432/1
• 负责人: Natalio Krasnogor
• 金额: $ 120.47万
• 依托单位: University of Nottingham
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2010
• 资助国家: 英国
• 起止时间: 2010 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FH010432%2F1
• 关键词: Evolutionary; Optimisation; Self; Assembling; Nano

The primary objective of this proposal is the development of novel evolutionary algorithms (EAs) and protocols, based on deeper principles than currently available, for the optimisation, design and exploitation of molecular self-assembly. Evolutionary algorithms are nowadays well established techniques that have shown their worth on a large variety of applications that range from timetabling and scheduling problems to robotics and space antenna design. Surprisingly, EAs have not yet been systematically analised in the context of molecular tile design. At the core of our approach lies the assumption that self-assembly can be understood as an information-driven process and hence be better exploited by directly linking it to computational phenomena. Taken as an operational hypothesis, which our research programme will analyse both theoretically and experimentally, this assumption implies that with suitable tools, desired emergent phenomena could in principle be programmed into self-assembling nanosystems. Our experimental target will be based around molecular tiles as these have been shown to be computationally complete [1,2,3]. Hence, they can potentially be programmed to perform any set of discrete information processing steps which in turn could induce a specific emergent pattern of complex behaviour. This project will seek to automate the process of programming molecular tiles using evolutionary algorithms. In an interview for Thomson Scientific's Science Watch newsletter [quoted in J.A. Pelesko, Self Assembly, The Science of Things that Put Themselves Together, Chapman & Hall/CRC, 2007], G. Whitesides, one of the most prolific and highly cited chemists in the world, noted that the holy grail of his research was To be able to make complex systems, either structurally or functionally, by self-assembly...We would like to develop a synthesis technology that would enable the making of nanometer-scale... structures on surfaces with arbitrary chosen properties . Whitesides' challenge is at the heart of our research programme. We will seeks to leverage state-of-the-art research in Computer Science and Nanoscience to meet this challenge.

该提案的主要目标是开发新颖的进化算法（EA）和协议，基于比当前可用的更深层次的原理，用于分子自组装的优化、设计和利用。进化算法是当今成熟的技术，已经在从时间表和调度问题到机器人和空间天线设计的各种应用中显示出其价值。令人惊讶的是，尚未在分子瓷砖设计的背景下对 EA 进行系统分析。我们方法的核心是假设自组装可以理解为信息驱动的过程，因此可以通过将其直接与计算现象联系起来更好地利用。作为一个操作假设，我们的研究计划将从理论上和实验上进行分析，这一假设意味着，通过合适的工具，所需的涌现现象原则上可以被编程到自组装纳米系统中。我们的实验目标将基于分子瓦片，因为这些已被证明在计算上是完整的 [1,2,3]。因此，它们可能被编程为执行任何一组离散的信息处理步骤，这反过来又可能引发复杂行为的特定涌现模式。该项目将寻求使用进化算法实现分子瓦片编程过程的自动化。在接受汤姆森科学公司的《科学观察》时事通讯采访时[引自 J.A. Pelesko，《自组装，将自身组合在一起的事物的科学》，Chapman & Hall/CRC，2007]，G. Whitesides，世界上最多产和被引用次数最多的化学家之一，指出他研究的圣杯是能够通过自组装制造结构或功能上的复杂系统......我们希望开发一种合成技术，能够在表面上制造纳米级......结构 任意选择的属性。怀特赛兹的挑战是我们研究计划的核心。我们将寻求利用计算机科学和纳米科学领域最先进的研究来应对这一挑战。

项目成果

Matching island topologies to problem structure in parallel evolutionary algorithms

• DOI: 10.1007/s00500-013-0995-9
• 发表时间: 2013-03
• 期刊: Soft Computing
• 影响因子: 4.1
• 作者: Ignacio Arnaldo;Iván Contreras;David Millán-Ruiz;J. Hidalgo;N. Krasnogor

A genotype-phenotype-fitness assessment protocol for evolutionary self-assembly Wang tiles design

进化自组装 Wang 瓷砖设计的基因型-表型-适应性评估方案

• DOI: 10.1007/s12293-012-0092-0
• 发表时间: 2012
• 期刊: Memetic Computing
• 影响因子: 4.7
• 作者: Terrazas G

Nature Inspired Cooperative Strategies for Optimization (NICSO 2011)

自然启发的优化合作策略 (NICSO 2011)

• DOI: 10.1007/978-3-642-24094-2_5
• 发表时间: 2012
• 作者: Terrazas G

Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide.

• DOI: 10.1039/c3dt50874a
• 发表时间: 2014-01
• 期刊: Dalton transactions
• 影响因子: 4
• 作者: Ben A Llewellyn;A. Slater;G. Goretzki;T.P. Sun;Xue-Zhong Davies;E. Stephen;Stephen P Lewis;W. Beeby;A. George;Michael W;A. Beeby;M. George;N. Champness

Complexity measurement based on information theory and kolmogorov complexity.

基于信息论和柯尔莫哥洛夫复杂度的复杂度测量。

• DOI: 10.1162/artl_a_00157
• 发表时间: 2015
• 期刊: Artificial life
• 影响因子: 2.6
• 作者: Lui LT