Cambridge Condensed Matter Theory Programme Grant
Cambridge Condensed Matter Theory Programme Grant
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 --
中文摘要
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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)
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Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test.
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
DOI:
10.1103/physreve.79.061704
发表时间:
2009
期刊:
Physical review. E, Statistical, nonlinear, and soft matter physics
影响因子:
--
作者:
[Adams JM]
通讯作者:
Adams JM
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)
-
批准号:EP/M022595/1
-
项目类别:Research Grant
-
资助金额:$26.55万
-
财政年份:2015
-
负责人:Michael Payne
-
依托单位:
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:
Theory of Condensed Matter Group, Cambridge - Critical Mass Grant
-
批准号:EP/J017639/1
-
项目类别:Research Grant
-
资助金额:$379.79万
-
财政年份:2012
-
负责人:Michael Payne
-
依托单位:
Collaborative Computational Project on Computational Electronic Structure of Condensed Matter
-
批准号:EP/J010057/1
-
项目类别:Research Grant
-
资助金额:$48.75万
-
财政年份:2012
-
负责人:Michael Payne
-
依托单位:
Development of wide-ranging functionality in ONETEP
-
批准号:EP/G055904/1
-
项目类别:Research Grant
-
资助金额:$33.75万
-
财政年份:2009
-
负责人:Michael Payne
-
依托单位:
Support for the UK Car-Parrinello Consortium
-
批准号:EP/F038356/1
-
项目类别:Research Grant
-
资助金额:$3.19万
-
财政年份:2008
-
负责人:Michael Payne
-
依托单位:
海外基金