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Andrew Archer, University of Loughborough
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Ben Goddard, University of Edinburgh
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Roland Roth, University of Tubingen
About:
Classical density functional theory (DFT) is a microscopic approach for determining the average density distribution of a classical many-particle system in an arbitrary external potential. The approach is embedded in the framework of statistical mechanics and thermodynamics and is extremely powerful: Not only can one use it to accurately determine particle distributions, but one additionally gets thermodynamic quantities such as interfacial tensions, pressures and adsorptions. The applications of DFT have been numerous since its inception in the late 1970s, and in the last couple of decades the area has a renewed vigour thanks to the extension of the theory to cover dynamical non-equilibrium phenomena. This important extension is known as dynamical density functional theory (DDFT).
The goal of this workshop was to bring together mathematicians, physical scientists, materials scientists, and engineers working on developing and applying DFT and DDFT to discuss recent advances and to stimulate future work.
The workshop featured three plenary talks, giving overviews of (D)DFT from different perspectives, and laying the foundations for interdisciplinary conversations. There were also a number of contributed talks and 'lightning' talks to highlight a particular aspect discussed at the workshop, or a topic for future discussion. There was also be a public lecture by Priya Subramanian (University of Oxford) on Tuesday 4 May on ‘Wielding the knowledge of what is not possible’.
Programme:
| Monday 3 May | ||
| Plenary: Bob Evans, H.H.Wills Physics Laboratory, University of Bristol | Equilibrium Classical Density Functional Theory: A physicist's introduction | |
| Discussion | ||
| Break and informal discussions | ||
| Alina Ciach, Instytut Chemii Fizycznej PAN, Warszawa | Correlation functions in concentrated electrolytes from combined density functional and statistical field theories | |
| Martin Oettel, University of Tübingen | The direct correlation function of a solid | |
| Peter Cats , Utrecht University | The Puzzling Decay Length in Concentrated Electrolytes | |
| Discussion | ||
| Tuesday 4 May | ||
| Plenary: Greg Pavliotis, Department of Mathematics, Imperial College London | Mean field limits for interacting particles and dynamical density functional theory | |
| Discussion | ||
| Break and informal discussions | ||
| Sabine Jansen, LMU Munich | A new inversion theorem with applications to density functionals | |
| Peter Yatsyshin , The Alan Turing Institute, London | Data-Driven Classical Density Functional Theory: A Case for Physics Informed Learning | |
| Matthias Schmidt, Universität Bayreuth | Fluctuation profiles for fluids and Noether's Therorem in Statistical Mechanics | |
| Discussion | ||
| Priya Subramanian, University of Oxford | Public Lecture: Wielding the knowledge of what is not possible | |
| Wednesday 5 May | ||
| Plenary: Joachim Groß, Institute of Technical Thermodynamics and Thermal Process Engineering, University of Stuttgart | Applications of Classical Density Functional Theory for real fluid mixtures | |
| Discussion | ||
| Break and informal discussions | ||
| Antoine Barthes, Laboratory for the Thermodynamics of Complex Fluids and their Reservoirs - LFCR / UMR 5150 | Confinement of a water fluid film during crystallization in nanopores : a DFT study | |
| Thomas Bernet , Imperial College London | Beyond the mean-field approximation for pair correlations in classical density functional theory: SAFT-VR Mie DFT | |
| Alberto Scacchi, Department of Chemistry and Materials, Aalto University | Sensitive dependence on molecular interactions of length scales in sheared soft matter | |
| Discussion | ||
| Thursday 6th May | ||
| Daniel de las Heras, University of Bayreuth | Out-of-equilibrium internal forces in Brownian systems | |
| Jonna Roden, University of Edinburgh | PDE-Constrained Optimization for Multiscale Particle Dynamics | |
| Discussion | ||
| Michael te Vrugt, Institute of Theoretical Physics, Center for Soft Nanoscience, University of Münster | Effects of social distancing and isolation on epidemic spreading modeled via dynamical density functional theory | |
| Alastair Rucklidge, University of Leeds | Soft matter quasicrystals with six-fold symmetry: pattern formation, mode interactions and tilings |
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| Andrew Archer, University of Loughborough | Soft matter quasicrystals with six-fold symmetry: pattern formation, mode interactions and tilings | |
| Discussion, Lightning Talks and Closing | ||
| Informal Discussion |