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# Theory of Condensed Matter

Theoretical Condensed Matter physics is about building models of physical processes, often driven by experimental data, generalising the solutions of those models to make experimental predictions, and transferring the concepts gained into other areas of research. Theory plays an important role in understanding known phenomena and in predicting new ones.

With over seventy members, the TCM Group is one of the largest research Groups in the Cavendish Laboratory, and the largest university Condensed Matter Theory group in the country. Able to trace its history back for over sixty years, it has been home to many leading theoreticians.

Starting at the first principles microscopic level - with the Schrödinger equation - many properties of materials can now be calculated with a high degree of accuracy. We work on refining and developing new calculational tools and applying them to problems in physics, chemistry, materials science and biology.

Solids often show unusual collective behaviour resulting from cooperative quantum or classical phenomena. For this type of physics a more model-based approach is appropriate, and we are using such methods to attack problems in magnetism, superconductivity, nonlinear optics, mesoscopic systems, polymers, and colloids.

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, the observer in quantum mechanics, and models of biophysical processes, from the molecular scale up to neural systems.

We congratulate Philip Greulich on his appointment to a Lectureship in Applied Mathematics at the University of Southampton.

We congratulate Edgar Engel on passing his PhD viva. Edgar will remain in TCM as a Trinity College Junior Research Fellow.

News archive(Click the above tab to reload the Seminars list.)

More seminars- Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites. J. Phys. - Condens. Mat. 28 344007 (2016)
- Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study. Chem. - Eur. J. 22 10065 - 10073 (2016)
- Fermionic response from fractionalization in an insulating two-dimensional magnet Nat. Phys. (2016)
- Electronic and magnetic properties of superconducting LnO1-x F x BiS2 (Ln = La, Ce, Pr, and Nd) from first principles. J. Phys. - Condens. Mat. 28 345504 (2016)
- Dynamic heterogeneity as a strategy of stem cell self-renewal. P. Natl. Acad. Sci. USA (2016)
- Inhibition of β-catenin signalling in dermal fibroblasts enhances hair follicle regeneration during wound healing. Development (2016)
- Erratum: "Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals" [J. Chem. Phys. 143, 204107 (2015)]. J. Chem. Phys. 144 219902 (2016)
- Quantitative lineage tracing strategies to resolve multipotency in tissue-specific stem cells. Genes Dev. 30 1261 - 1277 (2016)
- Continuous melting through a hexatic phase in confined bilayer water Phys. Rev. E 93 062137 (2016)
- Majorana spectroscopy of 3D Kitaev spin-liquids Phys. Rev. B 93 235146 (2016)
- Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory. J. Phys. - Condens. Mat. 28 195202 (2016)
- Determining pressure-temperature phase diagrams of materials Phys. Rev. B 93 174108 (2016)
- Perspective: Role of structure prediction in materials discovery and design APL Materials 4 053210 (2016)
- Encoding Gaussian curvature in glassy and elastomeric liquid crystal solids Proc. Royal Soc. A - Math. Phy. 472 20160112 (2016)
- Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning. J. Chem. Theory Comput. (2016)
- A Peptoid-Based Combinatorial and Computational Approach to Developing Ligands for Uranyl Sequestration from Seawater Ind. Eng. Chem. Res. 55 4187 - 4194 (2016)
- Nondeterministic self-assembly of two tile types on a lattice Phys. Rev. E 93 042412 (2016)
- Solvent Effects on Electronic Excitations of an Organic Chromophore. J. Chem. Theory Comput. 12 1853 - 1861 (2016)
- Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries Chem. Mater. 28 2011 - 2021 (2016)
- Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system Nature 532 81 - + (2016)

Theoretical Condensed Matter physics is about building models of physical processes, often driven by experimental data, generalising the solutions of those models to make experimental predictions, and transferring the concepts gained into other areas of research. Theory plays an important role in understanding known phenomena and in predicting new ones.

With over seventy members, the TCM Group is one of the largest research Groups in the Cavendish Laboratory, and the largest university Condensed Matter Theory group in the country. Able to trace its history back for over sixty years, it has been home to many leading theoreticians.

Starting at the first principles microscopic level - with the Schrödinger equation - many properties of materials can now be calculated with a high degree of accuracy. We work on refining and developing new calculational tools and applying them to problems in physics, chemistry, materials science and biology.

Solids often show unusual collective behaviour resulting from cooperative quantum or classical phenomena. For this type of physics a more model-based approach is appropriate, and we are using such methods to attack problems in magnetism, superconductivity, nonlinear optics, mesoscopic systems, polymers, and colloids.

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, the observer in quantum mechanics, and models of biophysical processes, from the molecular scale up to neural systems.

## News

We congratulate Philip Greulich on his appointment to a Lectureship in Applied Mathematics at the University of Southampton.

We congratulate Edgar Engel on passing his PhD viva. Edgar will remain in TCM as a Trinity College Junior Research Fellow.

## Recent Publications

- Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites. J. Phys. - Condens. Mat. 28 344007 (2016)
- Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study. Chem. - Eur. J. 22 10065 - 10073 (2016)
- Fermionic response from fractionalization in an insulating two-dimensional magnet Nat. Phys. (2016)
- Electronic and magnetic properties of superconducting LnO1-x F x BiS2 (Ln = La, Ce, Pr, and Nd) from first principles. J. Phys. - Condens. Mat. 28 345504 (2016)
- Dynamic heterogeneity as a strategy of stem cell self-renewal. P. Natl. Acad. Sci. USA (2016)
- Inhibition of β-catenin signalling in dermal fibroblasts enhances hair follicle regeneration during wound healing. Development (2016)
- Erratum: "Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals" [J. Chem. Phys. 143, 204107 (2015)]. J. Chem. Phys. 144 219902 (2016)
- Quantitative lineage tracing strategies to resolve multipotency in tissue-specific stem cells. Genes Dev. 30 1261 - 1277 (2016)
- Continuous melting through a hexatic phase in confined bilayer water Phys. Rev. E 93 062137 (2016)
- Majorana spectroscopy of 3D Kitaev spin-liquids Phys. Rev. B 93 235146 (2016)
- Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory. J. Phys. - Condens. Mat. 28 195202 (2016)
- Determining pressure-temperature phase diagrams of materials Phys. Rev. B 93 174108 (2016)
- Perspective: Role of structure prediction in materials discovery and design APL Materials 4 053210 (2016)
- Encoding Gaussian curvature in glassy and elastomeric liquid crystal solids Proc. Royal Soc. A - Math. Phy. 472 20160112 (2016)
- Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning. J. Chem. Theory Comput. (2016)
- A Peptoid-Based Combinatorial and Computational Approach to Developing Ligands for Uranyl Sequestration from Seawater Ind. Eng. Chem. Res. 55 4187 - 4194 (2016)
- Nondeterministic self-assembly of two tile types on a lattice Phys. Rev. E 93 042412 (2016)
- Solvent Effects on Electronic Excitations of an Organic Chromophore. J. Chem. Theory Comput. 12 1853 - 1861 (2016)
- Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries Chem. Mater. 28 2011 - 2021 (2016)
- Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system Nature 532 81 - + (2016)