Cambridge Condensed Matter Theory Programme Grant
Lead Research Organisation:
University of Cambridge
Department Name: Physics
Abstract
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.
Organisations
Publications
Badinski A
(2008)
Publisher's Note: Total forces in the diffusion Monte Carlo method with nonlocal pseudopotentials [Phys. Rev. B 78 , 035134 (2008)]
in Physical Review B
Drummond N
(2008)
Finite-size errors in continuum quantum Monte Carlo calculations
in Physical Review B
Badinski A
(2008)
Nodal Pulay terms for accurate diffusion quantum Monte Carlo forces
in Physical Review B
Badinski A
(2008)
Energy derivatives in quantum Monte Carlo involving the zero-variance property.
in The Journal of chemical physics
Morris A
(2008)
Hydrogen/silicon complexes in silicon from computational searches
in Physical Review B
Koseki J
(2008)
Quantum Monte Carlo study of porphyrin transition metal complexes.
in The Journal of chemical physics
Needs R
(2008)
The quantum Monte Carlo method-electron correlation from random numbers (abstract only).
in Journal of physics. Condensed matter : an Institute of Physics journal
Cooper N
(2008)
Rapidly rotating atomic gases
in Advances in Physics
Badinski A
(2008)
Energy derivatives in quantum Monte Carlo involving the zero-variance property.
in The Journal of chemical physics
Pickard CJ
(2008)
Highly compressed ammonia forms an ionic crystal.
in Nature materials
Adams JM
(2009)
Mechanical switching of ferroelectric rubber.
in Physical review. E, Statistical, nonlinear, and soft matter physics
Cooper N
(2009)
Stable Topological Superfluid Phase of Ultracold Polar Fermionic Molecules
in Physical Review Letters
Eastham P
(2009)
Vortex states of a disordered quantum Hall bilayer
in Physical Review B
Conduit GJ
(2009)
Inhomogeneous phase formation on the border of itinerant ferromagnetism.
in Physical review letters
Berridge AM
(2009)
Inhomogeneous magnetic phases: a Fulde-Ferrell-Larkin-Ovchinnikov-like phase in Sr3Ru2O7.
in Physical review letters
Kita Y
(2009)
Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule.
in The Journal of chemical physics
Solt I
(2009)
Evaluating boundary dependent errors in QM/MM simulations.
in The journal of physical chemistry. B
Kita Y
(2009)
Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule.
in The Journal of chemical physics
Pickard CJ
(2009)
Dense low-coordination phases of lithium.
in Physical review letters
Biggins JS
(2009)
Supersoft elasticity in polydomain nematic elastomers.
in Physical review letters
Blundell J
(2009)
Stretching Semiflexible Filaments and Their Networks
in Macromolecules
Drummond ND
(2009)
Phase diagram of the low-density two-dimensional homogeneous electron gas.
in Physical review letters
Corbett D
(2009)
Anisotropic electrostatic actuation
in Journal of Physics D: Applied Physics
Cooper N
(2009)
Measuring the Superfluid Fraction of an Ultracold Atomic Gas
Wojs A
(2009)
Skyrmions in the Moore-Read state at nu=5/2
Dondl P
(2009)
A Sharp Interface Model for the Propagation of Martensitic Phase Boundaries
in Archive for Rational Mechanics and Analysis
Pickard C
(2009)
Structures at high pressure from random searching
in physica status solidi (b)
Bhaseen MJ
(2009)
Polaritons and pairing phenomena in Bose-Hubbard mixtures.
in Physical review letters
Drummond N
(2009)
Quantum Monte Carlo calculation of the energy band and quasiparticle effective mass of the two-dimensional Fermi fluid
in Physical Review B
Cooper NR
(2009)
Observable bulk signatures of non-Abelian quantum Hall States.
in Physical review letters
Edge JM
(2009)
Signature of the Fulde-Ferrell-Larkin-Ovchinnikov phase in the collective modes of a trapped ultracold Fermi gas.
in Physical review letters
Hine N
(2009)
Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP
in Computer Physics Communications
Fortes A
(2009)
Crystal Structure of Ammonia Monohydrate Phase II
in Journal of the American Chemical Society
Knowles TP
(2009)
An analytical solution to the kinetics of breakable filament assembly.
in Science (New York, N.Y.)
Cole DJ
(2009)
Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces.
in Physical chemistry chemical physics : PCCP
Fortes AD
(2009)
Equation of state and phase transition of deuterated ammonia monohydrate (ND3.D2O) measured by high-resolution neutron powder diffraction up to 500 MPa.
in The Journal of chemical physics
Corbett D
(2009)
Electromechanical elongation of nematic elastomers for actuation
in Sensors and Actuators A: Physical
Pickard CJ
(2009)
Stable phases of iron at terapascal pressures.
in Journal of physics. Condensed matter : an Institute of Physics journal
Corbett D
(2009)
Deformation and rotations of free nematic elastomers in response to electric fields
in Soft Matter
Drummond N
(2009)
Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid
in Physical Review B
Warner M
(2009)
Two-color nonlinear absorption of light in dye layers
in Physical Review A
Griffiths G
(2009)
Post-cotunnite phase of TeO 2 obtained from first-principles density-functional theory methods with random-structure searching
in Physical Review B
Hsing C
(2009)
Quantum Monte Carlo studies of covalent and metallic clusters: Accuracy of density functional approximations
in Physical Review B
Bhattacharya K
(2009)
Stress-Induced Phase Transformations in Shape-Memory Polycrystals
in Archive for Rational Mechanics and Analysis
Lee R
(2009)
Exciton-exciton interaction and biexciton formation in bilayer systems
in Physical Review B
Blundell J
(2009)
Buckling of semiflexible filaments under compression
in Soft Matter
Möller G
(2009)
Composite fermion theory for bosonic quantum Hall states on lattices.
in Physical review letters
Morris A
(2009)
Hydrogen/nitrogen/oxygen defect complexes in silicon from computational searches
in Physical Review B
Witkowski L
(2009)
Quenched random disorder and x-ray scattering in smectic elastomers
in Physical Review E
Description | Condensed Matter is intrinsically complex. The term refers to systems of vast numbers of atoms placed so close together that the electrons may no longer be confined to a single atom and the atoms interact strongly together. Perhaps not surprisingly, condensed matter systems can exhibit a vast array of different physical, chemical and/or biological properties, often on many different lengthscales. We should also remember that the fundamental equations of physics can usually only be solved exactly |
Exploitation Route | In some cases, there are opportunities for commercial exploitation of the methods we develop, particularly those involving computer modelling, but more realistically it is the novel phenomena and the systems and/or materials that exhibit them that will offer opportunities for commercial exploitation. As explained above we interact with many communities of other academic researchers. |
Sectors | Digital/Communication/Information Technologies (including Software),Healthcare,Manufacturing/ including Industrial Biotechology |
URL | http://www.tcm.phy.cam.ac.uk/ |
Description | The Cambridge Theory of Condensed Matter Programme Grant was one of a long line of grants that provided long term flexible funding for the core activities of the research group. These grants have allowed us to be innovative, respond rapidly to research opportunities, take on long term riskier research and to support ongoing software development projects. The outcomes reported elsewhere give some indication of the impact of these grants which is clearly marked bymany metrics such as developing the research careers of out young researchers, awards and prizes to the PI and Co-Is and to software that is now sold commercially. |
First Year Of Impact | 2009 |
Sector | Chemicals,Digital/Communication/Information Technologies (including Software),Education,Electronics,Energy,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
Impact Types | Cultural,Societal,Economic |
Title | CASTEP |
Description | A quantum mechanical atomistic simulation tool |
Type Of Technology | Software |
Impact | The software was originally licenced in 1994 but is continually upgraded and improved. It is sold commercially by Biovia (formerly Accelrys) with annual sales in excess of £1million and cumulative sales in excess of $30 |
URL | http://accelrys.com/products/materials-studio/quantum-and-catalysis-software.html |
Title | ONETEP |
Description | ONETEP is a linear scaling quantum mechanical atomistic simulation tool |
Type Of Technology | Software |
Impact | This software is continuously improved in terms of both functionality and speed. It has been sold commercially by Biovia (formerly Accelrys) since 2004 and now has commercial sales in excess of $4.5million |
URL | http://accelrys.com/products/materials-studio/quantum-and-catalysis-software.html |