课题基金 / 基金详情

Cambridge Condensed Matter Theory Programme Grant

Cambridge Condensed Matter Theory Programme Grant
剑桥凝聚态理论项目资助
批准号:
EP/F032773/1
负责人:
Michael Payne
金额:
$490.39万
依托单位:
依托单位国家:
英国
项目类别:
Research Grant
财政年份:
2008
资助国家:
英国
项目状态:
已结题
起止时间:
2008 至 --

项目摘要

项目成果

Michael Payne的其他基金

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中文摘要
翻译
作为理论家,我们构建通常受到实验发现启发的物理和化学过程模型,我们推广这些模型及其解决方案,为新的实验做出预测,并将从这些模型的解决方案中出现的概念和理论工具转移到其他研究领域,进行协调的跨学科努力。简而言之,理论的作用是理解在实验室或日常生活中观察到的已知现象,并预测新的物理过程和现象。我们的理论研究既是关于计算,定量地了解和预测物质的行为,也是关于建立模型,以阐明物理、化学、材料科学和生物学中的紧急行为的图景。理论的作用既包括基础知识的创造,也包括对新技术和现有技术建模的实际应用。我们的活动应用广泛,如超冷原子、半导体器件和DNA组装。从微观层面的第一原理(如薛定谔方程所体现的)出发,现在可以非常准确地计算分子和材料的电子、机械和结构性质。我们致力于开发和提炼新的计算工具,并将它们应用于物理、化学、材料科学和生物学中的广泛基础和应用问题。固体和流体经常由于合作量子或经典现象而显示出不寻常的集体行为。对于这种现象,更多的基于模型的方法通常是合适的,我们正在使用这种方法来解决磁性、超流性、非线性光学、介观系统、复杂的流体和固体以及生物聚合物中的问题。在更大规模的系统中,集体行为显得更加突出。作为例子,我们研究了软凝聚态系统中的自组织结构,相互作用系统的非线性动力学,以及生物物理过程的模型,所有这些都是分子和介观尺度之间的桥梁。
英文摘要
As theoreticians, we construct models of physical and chemical processes that are generally inspired by experimental discoveries, we generalise these models and their solutions to make predictions for new experiments, and we transfer the concepts and theoretical tools which emerge from the solution of these models to other areas of research, in a concerted interdisciplinary effort. In short, the role of theory is to understand known phenomena observed in the laboratory or in everyday life, and to predict new physical processes and phenomena.Our theoretical research is both about making calculations, to quantitatively understand and predict the behaviour of matter, but also about making models to illuminate the landscape of emergent behaviour in physics, chemistry, material science, and biology. The role of theory includes both fundamental knowledge creation and practical applications of modelling for new and existing technology. The applications of our activity are as various as ultracold atoms, semiconductor devices and DNA assembly.Starting from first principles on the microscopic level (as embodied in the Schrdinger equation) electronic, mechanical and structural properties of molecules and materials can now be calculated with a remarkable degree of accuracy. We work on developing and refining new computational tools and applying them to a broad spectrum of fundamental and applied problems in physics, chemistry, materials science and biology.Solids and fluids often show unusual collective behaviour resulting from cooperative quantum or classical phenomena. For such phenomena a more model-based approach is often appropriate, and we are using such methods to attack problems in magnetism, superfluidity, nonlinear optics, mesoscopic systems, complex fluids and solids, andbio-polymers. Collective behaviour comes even more to the fore in systems on a larger scale. As examples, we work on self-organising structures in soft condensed matter systems, non-linear dynamics of interacting systems, and models of biophysical processes, all of which bridge the gap between molecular and mesoscopic scales.
期刊论文(10)
专著(0)
科研奖励(0)
会议论文
DOI: 10.1107/s0108768111042868
发表时间: 2011-12
期刊: Acta crystallographica. Section B, Structural science
影响因子: --
作者: [Bardwell DA, Adjiman CS, Arnautova YA, Bartashevich E, Boerrigter SX, Braun DE, Cruz-Cabeza AJ, Day GM, Della Valle RG, Desiraju GR, van Eijck BP, Facelli JC, Ferraro MB, Grillo D, Habgood M, Hofmann DW, Hofmann F, Jose KV, Karamertzanis PG, Kazantsev AV, Kendrick J, Kuleshova LN, Leusen FJ, Maleev AV, Misquitta AJ, Mohamed S, Needs RJ, Neumann MA, Nikylov D, Orendt AM, Pal R, Pantelides CC, Pickard CJ, Price LS, Price SL, Scheraga HA, van de Streek J, Thakur TS, Tiwari S, Venuti E, Zhitkov IK]
通讯作者: Zhitkov IK
Publisher's Note: Total forces in the diffusion Monte Carlo method with nonlocal pseudopotentials [Phys. Rev. B 78 , 035134 (2008)]
出版商注释:具有非局部赝势的扩散蒙特卡罗方法中的总力 [Phys。
DOI: 10.1103/physrevb.78.079903
发表时间: 2008
期刊: Physical Review B
影响因子: 3.7
作者: [Badinski A]
通讯作者: Badinski A
Nodal Pulay terms for accurate diffusion quantum Monte Carlo forces
用于精确扩散量子蒙特卡罗力的节点 Pulay 项
DOI: 10.1103/physrevb.77.085111
发表时间: 2008
期刊: Physical Review B
影响因子: 3.7
作者: [Badinski A]
通讯作者: Badinski A
Energy derivatives in quantum Monte Carlo involving the zero-variance property.
涉及零方差性质的量子蒙特卡罗能量导数。
DOI: 10.1063/1.3013817
发表时间: 2008
期刊: The Journal of chemical physics
影响因子: --
作者: [Badinski A]
通讯作者: Badinski A
共 6 条
    Theoretical Condensed Matter Cambridge - Critical Mass Grant
    • 批准号:
      EP/V062654/1
    • 项目类别:
      Research Grant
    • 资助金额:
      $381.92万
    • 财政年份:
      2022
    • 负责人:
      Michael Payne
    • 依托单位:
    Cambridge Theory of Condensed Matter Group -Critical Mass Grant
    • 批准号:
      EP/P034616/1
    • 项目类别:
      Research Grant
    • 资助金额:
      $257.83万
    • 财政年份:
      2017
    • 负责人:
      Michael Payne
    • 依托单位:
    CCP on Computational Electronic Structure of Condensed Matter (CCP9)
    Theme 5/6 High Performance Computing (HPC) and Simulation Knowledge Mining and Abstraction (SKMA)
    • 批准号:
      EP/K014188/1
    • 项目类别:
      Research Grant
    • 资助金额:
      $183.17万
    • 财政年份:
      2013
    • 负责人:
      Michael Payne
    • 依托单位:
    海外基金