Seminars

18:00; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Scott Shell, UCSB, USA: Multiscale modeling of biomaterials and soft materials using relative entropy coarse-graining Talk: Kevin Shen, UCSB, USA: TBA Read more & download attached files…

16:00; Zoom meeting, get link from settanni@uni-mainz.de Johannes Zierenberg; Max Planck Institute for Dynamics and Self-Organization, Göttingen, Germany “Inferring and modeling the spread of an infectious disease - lessons learned from COVID-19”

10:30; Zoom meeting, get link from settanni@uni-mainz.de Lukas Stelzl; Physics, JGU Mainz “Multi-scale simulations of disordered proteins and their assemblies”

10:30; Zoom meeting, get link from settanni@uni-mainz.de Prof. dr. Adam Sieradzan; University of Gdańsk, Poland “tba”

18:00; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Marina Guenza, University of Oregon, USA: The Integral Equation Theory of Coarse-Graining (IECG) and its applications. Read more & download attached files…

10:30; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Joseph F Rudzinski: Coarse-graining with forces: Towards graph neural network coarse-grained models Read more & download attached files…

14:30; Zoom meeting, get link from settanni@uni-mainz.de Lecture: M. Lisa Manning, Syracuse University, New York: Modeling of confluent biological tissues Talk: Elizabeth Lawson-Keister: Collective chemotaxis in a vertex model for confluent clusters Read more & download attached files…

10:30; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Thomas Kühne, University of Padeborn: In silico design of sustainable systems Read more & download attached files…

10:30; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Martin Hanke-Bourgeois: The Lanczos method Talk: Niklas Bockius: Computing Extended Markov Parameterizations for the Generalized Langevin Equation Read more & download attached files…

10:30; JGU Mainz, Physics, Newton-Raum Lecture: Martin Oberlack: Symmetries, Intermittency and Turbulent Scaling Laws of arbitrary Moments of Wall-Bounded Shear-Flows Read more…

10:30; JGU Mainz, Physics, Newton-Raum Philipp Arras; MPI Astrophysics, Garching “Information field theory and applications in calibration and imaging algorithms”

0:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Florian Müller-Plathe: Multiscale simulation & dynamics – Dynamics! – DYNAMICS!!! Read more…

10:30; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Hossein Eslami: Self-assembly of Janus particles Read more…

10:30; Zoom meeting, get link from settanni@uni-mainz.de Lecture: Lukas Stelzl: From atomic-resolution ensembles of disordered proteins to simulations of their biomolecular condensates Read more…

18:00; Zoom meeting, get link from settanni@uni-mainz.de Lecture: An-Chang Shi, MacMaster University, Canada: Self-consistent field theory Talk: Jiayu Xie, MacMaster University, Canada: Applications to block-copolymers Read more…

10:30; JGU Mainz, Physics, Newton-Raum Juergen Schnack; University of Bielefeld “What we do (not) understand about carbon nanomembranes”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Peter Virnau: Self-entanglements in soft matter systems: From polymer melts to chromosomes Talk: Florian Dittrich: Critical behaviour of active lattice (and off-lattice) systems Read more…

10:30; JGU Mainz, Physics, Newton-Raum Roland Winkler; Forschungszentrum Jülich “Motile active matter—emergent properties by structure and hydrodynamics”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Kostas Daoulas: Topological studies of coarse-grained polymer models Read more…

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Maria Lukacova: Hybrid multiscale method for complex polymeric flows Talk: Leonid Yelash: Stress calculation in a reduced-order hybrid multi-scale method Read more…

17:15; JGU Mainz, Mathematics, Hilbert-Raum Prof. Laszlo Szekelyhidi; Universität Leipzig “Stirring the turbulence problem”

10:30; JGU Mainz, Physics, Newton-Raum Lukas Stelzl; Max Planck Institute of Biophysics, Frankfurt “From atomic resolution models of disordered proteins to the structures of biomolecular condensates”

10:30; JGU Mainz, Physics, Medienraum Oleg Borisov; Institut des Sciences Analytiques et de Physico-Chimie pour lEnvironnement et les Matriaux, Pau , France “Self-assembly of macromolecules of complex architecture: from dendromicelles to dendrimersomes”

10:00; JGU Mainz, Physics, Newton-Raum Lectures: Denis Andrienko: Machine Learning with Gaussian Kernels and invariance Christoph Scherer: Kernel based learning of coarse-grained force fields Read more…

11:00; JGU Mainz, Physics, Newton-Raum Lecture: Andre' Brinkmann: Parallelism in C++ and HPX Read more & download attached files…

10:00; JGU Mainz, Physics, Newton-Raum Lectures: Lisa Hartung: (Hidden) branching structures Benno Liebchen: Coarse-grained interactions in active colloids Read more…

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Friederike Schmid: Field based models Talk: Sriteja Mantha: Read more…

10:30; JGU Mainz, Physics, Newton-Raum Prof. An-Chang Shi; McMaster University, Canada “Non-classical ordered phases of block copolymers”

10:30; JGU Mainz, Physics, Newton-Raum Lecture: Christoph Ortner, University of Warwick: Hybrid Modelling of Interatomic Forces Talk: Geneviève Dusson, University of Warwick: Atomic Permutation-Invariant Polynomials (aPIPs) for Materials and Molecules Read more…

10:15; JGU Mainz, Physics, Newton-Raum Jörg Steinkamp; ZDV JGU Mainz “Research data management and data archiving at ZDV/JGU with iRODS”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Gregor Diezemann: The mechanical unfolding of molecular assemblies studied by molecular simulations Read more…

10:30; TU Darmstadt, Köhler-Saal S1|03 Lecture: Tristan Bereau: Multisale simulations of soft matter augmented by data-driven methods Talk: Joe Rudzinski: Structural-kinetic relationships for consistent interpretations of coarse-grained peptide kinetics Read more…

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Thomas Speck: Molecular dynamics with conserved quantities Talk: Fabian Knoch: Multi-Ensemble Markov State Modeling Read more…

10:30; JGU Mainz, Physics, Newton-Raum Alexandre dos Santos; UFRGS, Brazil “Simulation of charged polarizable surfaces”

10:30; JGU Mainz, Physics, Newton-Raum Vladimir Lobaskin; University College Dublin, Ireland “Bionano interactions - key to understanding toxicity and function of nanomaterials”

10:30; JGU Mainz, Physics, Medienraum Yoav G. Pollack; The Weizmann Institute of Science, Rehovot, Israel “The Static Glass Lengthscale at Low T”

10:30; JGU Mainz, Physics, Newton-Raum Michele Cascella; University of Oslo “Coarse-Graining Peptide Chains – from Particles to Fields”

10:30; JGU Mainz, Physics, Medienraum Peter van Oostrum; University of Natural Resources and Life Science, Vienna “Multivalent binding through force activation of fimbriated bacteria revealed by digital holographic phase contrast microscopy”

10:30; JGU Mainz, Physics, Newton-Raum Prof. Dr. Michele Cascella; Chemistry Department, University of Oslo “Coarse-Graining Peptide Chains – from Particles to Fields”

17:15; JGU Mainz, Mathematics, Hilbert-Raum Eduard Feireisl; Czech Academy of Sciences, Prague & Einstein Professor, TU Berlin “Numerical analysis of the complete Euler system.”

11:00; JGU Mainz, Physics, Newton-Raum Markus Bachmayr; University of Bonn “Reduced basis methods, low-rank approximations, and uncertainty quantification”

10:15; JGU Mainz, Physics, Newton-Raum Lecture: Vladimir Lobaskin: Multiscale modelling of bionano interface Read more…

17:15; JGU Mainz, Mathematics, Hilbert-Raum Yvo Pokern; University College London, UK “Flow Transport SMC Samplers”

14:15; JGU Mainz, Mathematics, Hilbert-Raum Giulio Giusteri; University of Milano “Rheometric framework for the data-driven modeling of fluids”

10:15; JGU Mainz, Physics, Newton-Raum Hendrik Heinz; University of Colorado-Boulder “Understanding Multiphase Materials Interactions from Molecules to Microstructures”

9:30; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lectures: Michael Vogel: On the characterization of complex molecular dynamics in computer simulation studies Tamisra Pal: Understanding Dynamics in Ionic Liquids: From Bulk to Interface Read more & download attached files…

16:15; Room # 03-214, Building 2121 (Physical Chemistry), Duesbergweg 10-14 Michele Cascella; Hylleraas Centre of Quantum Molecular Science, University of Oslo, Norway “Entropy-driven polymorphism in micellar aggregates of a charged surfactant — a multi-scale study”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Andre' Brinkmann: An introduction into parallel programming Talk: Horacio V. Guzman: Efficient multiple time scales mapping in multiscale molecular simulation, a hierarchical domain decomposition approach Read more…

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Arash Nikoubashman: From polymers to nanoparticles: simulating flash nanoprecipitation Talk: Tatiana Morozova: Atomistic and Coarse-Grained computer simulations for studying flash nanoprecipitation Read more…

10:30; JGU Mainz, Physics, Newton-Raum Johannes Nübler; MIT, Cambridge, USA “Polymer Models for Chromatin Organization”

14:15; JGU Mainz, Physics, Gernot Gräff Room Dr. Benjamin Rotenberg; Laboratoire PHENIX, Sorbonne Université, Paris “Finite (box) size effects on transport properties”

10:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Nico van der Vegt: Derivation of transferable pair potentials for coarse-grained force fields Talk: David Rosenberg: TBA Read more…

16:00; Seminar room theoretical chemistry (room number # 03-214, building 2121) Filippo Lipparini; Department of Chemistry,University of Pisa “General linear scaling implementation of polarizable embedding schemes”

15:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Florian Mueller-Plathe: Molecular dynamics – Dynamics! – DYNAMICS!!! Talk: Tamisra Pal: Dynamic heterogeneity in Ionic Liquids : Insights from All-atom and Coarse- Grained Molecular Dynamics Simulation Study Read more…

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Kostas Daoulas: Application of Self Consistent Field Theory to polymeric liquid crystals Talk: Thomas Kemmer: Numerical approaches to local and nonlocal biomolecule electrostatics using the Julia programming language Read more…

10:15; JGU Mainz, Physics, Newton-Raum Felix Otto; Max-Planck Institute for Mathematics in the Sciences, Leipzig, Germany “Effective behavior of random media: An error analysis”

17:15; JGU Mainz, Mathematics, Hilbert-Raum Andrea Barth; Universität Stuttgart “Quantification of Uncertainty via Multilevel Monte Carlo Methods”

10:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Martin Oberlack: Extended Discontinuous Galerkin methods for singular problem such as multi-phase flows Talk: Florian Kummer: Extended discontinuous Galerkin methods for multiphase flows and their coupling to level-set methods Read more…

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Marialore Sulpizi: Unifying molecular dynamics and electronic structure Read more…

10:00; JGU Mainz, Physics, Medienraum Lecture: Jürgen Gauss: A Quick Sightseeing Tour Through Quantum Chemistry Read more…

14:15; JGU Mainz, Physics, Medienraum Thomas Gruhn; University of Bayreuth “Examples of self-assembling mesostructures - Domain formation in thermoelectric alloys and colloidal quasicrystals”

10:00; JGU Mainz, Physics, Lorentz-Raum Giovanni Cicotti; University of Rome, La Sapienza “Accelerated-MD & MC”

10:30; JGU Mainz, Physics, Newton-Raum Hugues Meyer; Université du Luxembourg “On the generalized Langevin equation : a non-stationary approach of the Mori-Zwanzig formalism”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Burkhard Duenweg: Lattice Boltzmann Simulations of Polymer Dynamics Talk: Nikita Tretyakov: An improved dissipative coupling between Lattice Boltzmann and Molecular Dynamics Read more…

10:15; JGU Mainz, Physics, Newton-Raum Lecture: Herbert Egger: Inverse problems with partial differential equations Talk: Tobias Seitz: Data enhancement for distributed flow measurements Read more & download attached files…

14:15; JGU Mainz, Mathematics, Hilbert-Raum Michael Renardy; Virginia Tech, USA “Modeling thixotropic yield stress fluids as a limit of viscoelasticity”

10:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Michael Vogel: Simulation Studies of Dynamical Heterogeneities in Soft Matter Systems Talk: Gregor Deichmann: Bottom-up DPD methods for coarse-grained MD simulations Read more…

17:15; TU Darmstadt, Chemistry, Hörsaal A Athanassios Panagiotopoulos; Princeton University “Self-assembly in nanoparticle and polymer systems”

10:30; JGU Mainz, Physics, Medienraum Athanassios Panagiotopoulos; Princeton University “Simulations of Thermodynamic Properties and Self-Assembly in Aqueous Solutions”

17:00; JGU Mainz, Mathematics, Hilbert-Raum Miloslav Feistauer; Charles University, Prague “Numerical simulation of the two-phase flow by the finite element-discontinuous Galerkin method”

10:30; JGU Mainz, Physics, Newton-Raum Benjamin Rotenberg; University Pierre and Marie Curie, Paris “Computing Memory Functions Using Molecular Dynamics Simulation”

11:15; JGU Mainz, Mathematics, room 05-514 Anna Hundertmark; Institute of Mathematics, Uni Mainz “Von der Blutzelle bis zur Computersimulation”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Andreas Hildebrandt: Nonlocal electrostatics - biomolecules in a structured solvent Talk: Aoife Fogarty: Including Atomistic Detail in the Active Site of Coarse-grained Enzyme Models Read more…

10:30; JGU Mainz, Physics, Newton-Raum Thomas Ihle; Greifswald University, Germany “Kinetic theory of polar active matter”

13:15; JGU Mainz, Physics, Medienraum Theo Odijk; Lorentz Institute for Theoretical Physics, Leiden, Netherlands “Two-Dimensional Turbulence: a survey, a new result, speculations”

10:30; JGU Mainz, Physics, Newton-Raum David Andelman; School of Physics and Astronomy, Tel Aviv University, Israel “One Hundred Years of Electrified Interfaces: Past, Present and Future”

13:30; JGU Mainz, Physics, Medienraum Cecile Cottin-Bizonne; Claude Bernard University Lyon 1, Villeurbanne, France “Active systems: from self-propelled colloids to magnetotactic bacteria.”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Yuki Nagata: Modeling of interfacial water Read more…

10:30; JGU Mainz, Physics, Newton-Raum André H Gröschel; Institute of Physical Chemistry,University of Duisburg-Essen “Unusual block copolymer nanostructures”

13:15; JGU Mainz, Physics, Medienraum Jens Glaser; Chemical Engineering, University of Michigan, Ann Arbor, MI, USA “Self-assembly of colloids and proteins: depletion interactions and implicit solvent”

10:15; JGU Mainz, Mathematics, Hilbert-Raum Illia Horenko; University of Lugano “On numerical modelling and HPC-inference of unresolved scale effects in realistic multiscale systems”

10:30; JGU Mainz, Physics, Newton-Raum Jeff Chen; Department of Physics, University of Waterloo, CA “The Physics of semiflexible polymer chains”

10:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Nico van der Vegt: Modelling solvation using fluctuation theory of mixtures Talk: David Rosenberg: Calculation of Kirkwood-Buff Integrals from MD simulations and their role in generating effective pair-potentials Read more & download attached files…

14:00; JGU Mainz, Physics, Newton-Raum Julien Lombard; University of Barcelona “Emulsions stabilization using electrokinetics”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Arash Nikoubashman: Transport and assembly of colloidal particles through flow Talk: Ioana Ilie: A novel coarse grain protein model with internal degrees of freedom Read more…

10:30; JGU Mainz, Physics, Gernot Gräff Room Michele Cascella; University of Oslo, Norway “Large-scale Molecular Resolution Models of Biological Systems Combining Coarse-Grained and Hybrid Particle-Field Approaches”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Michael Wand: Generative models for structuring geometric and visual data (and maybe more?) Talk: Fabrice Delbary: Determining a pair potential from a radial distribution function Read more…

10:30; JGU Mainz, Physics, Newton-Raum Davide Donadio; Department of Chemistry, University of California Davis “Phonons and thermal energy transport in nanostructures: dimensionality reduction and surface resonances”

9:20; JGU Mainz, Mathematics, Hilbert-Raum Phoolan Prasad; Indian institute of science, Bangalore “Evolution of curves and surfaces: Closure relations of ray equa-tions, kinematical conservation laws (KCL), weakly nonlinear ray theory and curvature driven evolution”

10:00; JGU Mainz, Physics, Newton-Raum Lectures: Adolfo Poma: Nanomechanical Characterization of Native Cellulose I microfibril via a Coarse Grained Simulation Dominika Lesnicki: Understanding water relaxation at interfaces Read more…

10:30; JGU Mainz, Physics, Newton-Raum Andreas Tröster; TU Wien “Finite strain Landau theory ap-plied to the high pressure phase transition of lead titanate”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Friederike Schmid: Introduction into the "self-consistent field theory" of inhomogeneous polymer systems Talk: Alexej Disterhoft: Hybrid particle/field models of macromolecular systems with adaptive resolution Read more & download attached files…

10:30; JGU Mainz, Physics, Newton-Raum Damien Vandembroucq; , Laboratory of Physics and Mechanics of complex fluid, Paris “Lattice models of amorphous plasticity: from depinning to shear-banding”

10:30; JGU Mainz, Physics, Minkowski-Raum Tristan Bereau; MPIP “Transmembrane-peptide structure formation from coarse-grained simulations”

10:30; JGU Mainz, Physics, Minkowski-Raum Josh Berryman; University of Luxembourg “Mechanisms for Variation in Twist Morphology of Peptide Amyloid Fibrils”

10:30; JGU Mainz, Physics, Minkowski-Raum Olga Vinogradova; Moscow State University “Superhydrophobic microfluidics”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Thorsten Raasch: Introduction to numerical wavelet methods and related multiscale schemes Talk: Joe Rudzinski: A generalized Yvon-Born-Green method for coarse-grained modeling Read more & download attached files…

10:30; JGU Mainz, Physics, Newton-Raum Emanuel Peter; Institute of Computational Science, Università della Svizzera italiana, Lugano, CH “Polarizable models for the simulation of protein-water systems in dissipative particle dynamics.”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: André Brinkmann: Cloud computing versus high performance computing Talks: Nikolaos Sfakianakis: Actin-filament based Lamellipodium modeling and numerical simulations Johannes Heuser: A hybrid simulation method for polymer solutions Read more…

10:30; JGU Mainz, Physics, Newton-Raum Sara Jabbari Farrouji; JGU Mainz, Physics “From charged colloids to self-propelled magnetic colloids”

14:00; JGU Mainz, Physics, Newton-Raum Michael Engel; University of Michigan “Statistical Mechanics of Aperiodic Order”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Michael P. Allen: Making the atoms dance! Where do molecular dynamics simulation algorithms come from? Talk: Isidro Geada: Biomolecules at gold-water interfaces: the role of the metal polarization Read more & download attached files…

14:30; MPIP Mainz, Staudinger-Hörsaal Giuseppe Milano; Dipartimento di Chimica e Biologia, University of Salerno, Italy “Concurrent and Hierarchical Particle Continuum Bridging: A Journey Through Realistic Molecular Models of Soft Matter”

10:30; JGU Mainz, Physics, Newton-Raum Subir K. Das; Theoretical Sciences Unit , Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India “Aging in Kinetics of Phase Transitions”

10:00; TU Darmstadt - Lichtwiese - Bldg L2|06, Room 101 Lecture: Frederic Leroy: Basics of nonequilibrium statistical and classical thermodynamics. Introduction in nonequilibrium molecular dynamics simulations Talks: David Rosenberger: Structure based coarse graining and ill-posedness of inverse problems Vikram Reddy Ardham: Method to calculate work of adhesion for a solid-liquid system - Applied to n-alkanes on graphite Read more & download attached files…

10:30; JGU Mainz, Physics, Newton-Raum Michael P. Allen; University of Warwick “Coarse-Grained Simulations of Intrinsically Disordered Peptides”

10:00; JGU Mainz, Mathematics, Hilbert-Raum Giordano Tierra; Mathematical Institute, Charles University, Prague, Czech Republic “Numerical methods for solving the Cahn-Hilliard equation and its applicability to mixtures of isotropic and nematic flows with anchoring effects”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Raffaello Potestio: Non-equilibrium topics in the Physics of knotted polymers Talk: Stefan Jaschonek: Pulling parameter dependency in force ramp molecular dynamic simulations Read more…

14:15; JGU Mainz, Mathematics, Room 05-426 Agnieszka Swierczewska-Gwiazda; University of Warsaw, Poland “On various compressible models of fluid mechanics: problems of well-posedness”

10:00; JGU Mainz, Physics, Newton-Raum Lecture: Gregor Diezemann: Force probe molecular dynamics simulations: mechanical unfolding pathways of model systems Talk: Fabian Knoch: Markov State Modeling of systems driven into a non-equilibrium steady state Read more…

10:30; JGU Mainz, Physics, Newton-Raum Jens Smiatek; ICP, University of Stuttgart “Macromolecules, co-solutes and solvents – A crucial interplay”

17:15; TU Darmstadt, Chemistry, Hörsaal A Gerhard Hummer; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt “Molecular simulation of protein dynamics and function”

14:30; MPIP Mainz, Staudinger-Hörsaal Pierre Gaspard; Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles “Kinetics and thermodynamics of Markov chain copolymerization”

17:00; JGU Mainz, Mathematics, Hilbert-Raum Rémi Abgrall; Universität Zürich “On the approximation of hyperbolic problems, the example of fluid mechanics"”

10:30; JGU Mainz, Physics, Medienraum Vladimir Lobaskin; University College Dublin “Coarse-grained simulations of the adsorption of human blood proteins onto charged nanoparticles”

13:00; JGU Mainz, Physics, Medienraum Oded Farago; Ben-Gurion University “Proper Statistical Sampling in Isothermal-Isobaric Discrete-Time Molecular Dynamics”

14:15; JGU Mainz, Mathematics, Room 05-426 Phoolan Prasad; Indian Institute of Science, Bangalore “KCL - A mathematical model to describe evolution of curves and surfaces”

17:15; JGU Mainz, Physical Chemistry, SR 00 216/220 Michele Cascella; University of Oslo “Multi-scale approaches to protein dynamics: from the Schroedinger equation to coarse grained modelling”