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
Pickard CJ
(2009)
High-pressure phases of nitrogen.
in Physical review letters
Pickard CJ
(2014)
High-pressure physics: Piling on the pressure.
in Nature
Pickard CJ
(2008)
Highly compressed ammonia forms an ionic crystal.
in Nature materials
Escudé M
(2014)
How cells feel: stochastic model for a molecular mechanosensor.
in Biophysical journal
He J
(2012)
How variable clones build an invariant retina.
in Neuron
Peng F
(2017)
Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.
in Physical review letters
Morris A
(2009)
Hydrogen/nitrogen/oxygen defect complexes in silicon from computational searches
in Physical Review B
Morris A
(2008)
Hydrogen/silicon complexes in silicon from computational searches
in Physical Review B
Pickard C
(2010)
Hypothetical low-energy chiral framework structure of group 14 elements
in Physical Review B
Kozuska JL
(2014)
Impact of intracellular domain flexibility upon properties of activated human 5-HT3 receptors.
in British journal of pharmacology
Weber C
(2013)
Importance of many-body effects in the Kernel of hemoglobin for ligand binding.
in Physical review letters
Berridge AM
(2009)
Inhomogeneous magnetic phases: a Fulde-Ferrell-Larkin-Ovchinnikov-like phase in Sr3Ru2O7.
in Physical review letters
Conduit GJ
(2009)
Inhomogeneous phase formation on the border of itinerant ferromagnetism.
in Physical review letters
Cole DJ
(2011)
Interrogation of the protein-protein interactions between human BRCA2 BRC repeats and RAD51 reveals atomistic determinants of affinity.
in PLoS computational biology
Lopez-Garcia C
(2010)
Intestinal stem cell replacement follows a pattern of neutral drift.
in Science (New York, N.Y.)
Ejima S
(2011)
Ising deconfinement transition between Feshbach-resonant superfluids.
in Physical review letters
Lever G
(2014)
Large-Scale Density Functional Theory Transition State Searching in Enzymes.
in The journal of physical chemistry letters
Cole DJ
(2012)
Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U.
in The journal of physical chemistry 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
O'Regan D
(2012)
Linear-scaling DFT + U with full local orbital optimization
in Physical Review B
Keeling J
(2010)
Liquid-crystalline phases of ultracold atoms
in Physics
Morris A
(2013)
Lithiation of silicon via lithium Zintl-defect complexes from first principles
in Physical Review B
Béri B
(2011)
Local tensor network for strongly correlated projective States.
in Physical review letters
Mujica A
(2015)
Low-energy tetrahedral polymorphs of carbon, silicon, and germanium
in Physical Review B
Bhaseen M
(2011)
Magnetic properties of the second Mott lobe in pairing Hamiltonians
in Physical Review A
Kibalchenko M
(2011)
Magnetic response of single-walled carbon nanotubes induced by an external magnetic field.
in ACS nano
Price H
(2012)
Mapping the Berry curvature from semiclassical dynamics in optical lattices
in Physical Review A
Engel EA
(2018)
Mapping uncharted territory in ice from zeolite networks to ice structures.
in Nature communications
Cooper N
(2009)
Measuring the Superfluid Fraction of an Ultracold Atomic Gas
Cooper NR
(2010)
Measuring the superfluid fraction of an ultracold atomic gas.
in Physical review letters
Warner M
(2012)
Mechanical and optical bending of nematic elastomer cantilevers.
in Physical review. E, Statistical, nonlinear, and soft matter physics
Modes CD
(2012)
Mechanical frustration and spontaneous polygonal folding in active nematic sheets.
in Physical review. E, Statistical, nonlinear, and soft matter physics
Adams JM
(2009)
Mechanical switching of ferroelectric rubber.
in Physical review. E, Statistical, nonlinear, and soft matter physics
Li Y
(2015)
Metallic icosahedron phase of sodium at terapascal pressures.
in Physical review letters
Badinski A
(2010)
Methods for calculating forces within quantum Monte Carlo simulations.
in Journal of physics. Condensed matter : an Institute of Physics journal
Zaccone A
(2014)
Microscopic origin of nonlinear nonaffine deformation in bulk metallic glasses
in Physical Review B
Lee CT
(2018)
Microtubule buckling in an elastic matrix with quenched disorder.
in The Journal of chemical physics
Dziedzic J
(2011)
Minimal parameter implicit solvent model for ab initio electronic-structure calculations
in EPL (Europhysics Letters)
Klein AM
(2010)
Mouse germ line stem cells undergo rapid and stochastic turnover.
in Cell stem cell
Lee LP
(2013)
Natural bond orbital analysis in the ONETEP code: applications to large protein systems.
in Journal of computational chemistry
Zaccone A
(2011)
Network disorder and nonaffine deformations in marginal solids
in Physical Review B
Amoyel M
(2014)
Neutral competition of stem cells is skewed by proliferative changes downstream of Hh and Hpo.
in The EMBO journal
Möller G
(2011)
Neutral fermion excitations in the Moore-Read state at filling factor ? = 5/2.
in Physical review letters
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 |