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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.

TCM congratulates Dr Katarzyna Macieszczak on taking up the Henslow Research Fellowship at Selwyn College. She will remain in TCM as she continues her research on non-equilibrium quantum systems.

Dr Gareth Conduit has won a £1M InnovateUK award alongside Optibrium and the Medicines Discovery Catapult to use deep learning to improve the efficiency and productivity of drug discovery.

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

More seminars- Prediction of equilibrium isotopic fractionation of the gypsum/bassanite/water system using first-principles calculations Geochim. Cosmochim. Ac. 244 1 - 11 (2019)
- Excitations in the field-induced quantum spin liquid state of alpha-RuCl3 npj Quantum Materials 3 8 (2018)
- Direct Bandgap Behavior in Rashba-Type Metal Halide Perovskites. Adv Mater e1803379 (2018)
- Towards the systematic crystallisation of molecular ionic cocrystals: insights from computed crystal form landscapes. Faraday Disc. 211 401 - 424 (2018)
- Statistical theory of branching morphogenesis. Devel. Growth Differ. (2018)
- Neurogenin3 phosphorylation controls reprogramming efficiency of pancreatic ductal organoids into endocrine cells. Scientific Reports 8 15374 (2018)
- Optical absorption driven by dynamical symmetry breaking in indium oxide Phys. Rev. B 98 161203 (2018)
- Dynamics of a lattice gauge theory with fermionic matter-minimal quantum simulator with time-dependent impurities in ultracold gases Quantum Sci. and Tech. 3 UNSP 044003 (2018)
- High-pressure vibrational properties of dense rubidium Phys. Rev. B 98 (2018)
- Metabolic regulation of pluripotency and germ cell fate through α-ketoglutarate. Embo J. (2018)
- Meniscus instabilities in thin elastic layers. Soft Matter 14 7680 - 7689 (2018)
- Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties. J. Chem. Inf. Model. 58 1766 - 1778 (2018)
- Time-Dependent Density-Functional Theory for Modeling Solid-State Fluorescence Emission of Organic Multicomponent Crystals. J. Phys. Chem. A 122 7514 - 7521 (2018)
- Prediction of GABARAP Interaction with the GABA type A Receptor. Proteins - Structure Function and Bioinformatics (2018)
- Core Electrons in the Electronic Stopping of Heavy Ions Phys. Rev. Lett. 121 116401 (2018)
- Band structure interpolation using optimized local orbitals from linear-scaling density functional theory Phys. Rev. B 98 125123 (2018)
- Nonreciprocal Reconfigurable Microwave Optomechanical Circuit Int. Conf. Optical MEMS and Nanophot. 2018-July (2018)
- Quantum Motional Sideband Asymmetry in the Presence of Kerr-Type Nonlinearities Int. Conf. Optical MEMS and Nanophot. 2018-July (2018)
- Topology of one dimensional quantum systems out of equilibrium Phys. Rev. Lett. 121 090401 (2018)
- Welcoming Gallium- and Indium-Fumarate MOFs to the Family: Synthesis, Comprehensive Characterization, Observation of Porous Hydrophobicity, and CO2 Dynamics. ACS Applied Materials and Interfaces 10 28582 - 28596 (2018)

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

TCM congratulates Dr Katarzyna Macieszczak on taking up the Henslow Research Fellowship at Selwyn College. She will remain in TCM as she continues her research on non-equilibrium quantum systems.

Dr Gareth Conduit has won a £1M InnovateUK award alongside Optibrium and the Medicines Discovery Catapult to use deep learning to improve the efficiency and productivity of drug discovery.

## Recent Publications

- Prediction of equilibrium isotopic fractionation of the gypsum/bassanite/water system using first-principles calculations Geochim. Cosmochim. Ac. 244 1 - 11 (2019)
- Excitations in the field-induced quantum spin liquid state of alpha-RuCl3 npj Quantum Materials 3 8 (2018)
- Direct Bandgap Behavior in Rashba-Type Metal Halide Perovskites. Adv Mater e1803379 (2018)
- Towards the systematic crystallisation of molecular ionic cocrystals: insights from computed crystal form landscapes. Faraday Disc. 211 401 - 424 (2018)
- Statistical theory of branching morphogenesis. Devel. Growth Differ. (2018)
- Neurogenin3 phosphorylation controls reprogramming efficiency of pancreatic ductal organoids into endocrine cells. Scientific Reports 8 15374 (2018)
- Optical absorption driven by dynamical symmetry breaking in indium oxide Phys. Rev. B 98 161203 (2018)
- Dynamics of a lattice gauge theory with fermionic matter-minimal quantum simulator with time-dependent impurities in ultracold gases Quantum Sci. and Tech. 3 UNSP 044003 (2018)
- High-pressure vibrational properties of dense rubidium Phys. Rev. B 98 (2018)
- Metabolic regulation of pluripotency and germ cell fate through α-ketoglutarate. Embo J. (2018)
- Meniscus instabilities in thin elastic layers. Soft Matter 14 7680 - 7689 (2018)
- Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties. J. Chem. Inf. Model. 58 1766 - 1778 (2018)
- Time-Dependent Density-Functional Theory for Modeling Solid-State Fluorescence Emission of Organic Multicomponent Crystals. J. Phys. Chem. A 122 7514 - 7521 (2018)
- Prediction of GABARAP Interaction with the GABA type A Receptor. Proteins - Structure Function and Bioinformatics (2018)
- Core Electrons in the Electronic Stopping of Heavy Ions Phys. Rev. Lett. 121 116401 (2018)
- Band structure interpolation using optimized local orbitals from linear-scaling density functional theory Phys. Rev. B 98 125123 (2018)
- Nonreciprocal Reconfigurable Microwave Optomechanical Circuit Int. Conf. Optical MEMS and Nanophot. 2018-July (2018)
- Quantum Motional Sideband Asymmetry in the Presence of Kerr-Type Nonlinearities Int. Conf. Optical MEMS and Nanophot. 2018-July (2018)
- Topology of one dimensional quantum systems out of equilibrium Phys. Rev. Lett. 121 090401 (2018)
- Welcoming Gallium- and Indium-Fumarate MOFs to the Family: Synthesis, Comprehensive Characterization, Observation of Porous Hydrophobicity, and CO2 Dynamics. ACS Applied Materials and Interfaces 10 28582 - 28596 (2018)