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Johannes Gutenberg University Mainz
Johannes Gutenberg University Mainz
TRR 146
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Activities
Seminars
Events
People
Organisation
Niklas Litzenberger
Dr. Markus Haack
Members
Dr. Denis Andrienko
Prof. Dr.-Ing. André Brinkmann
Prof. Dr. Michele Cascella
Dr. Robin Cortes-Huerto
Dr. Kostas Daoulas
Prof. Dr. Gregor Diezemann
Prof. Dr. Burkhard Dünweg
Prof. Dr. Herbert Egger
Prof. Dr. Jürgen Gauss
Prof. Dr. Martin Hanke-Bourgeois
Jun.-Prof. Dr. Lisa Hartung
Prof. Dr. Kurt Kremer
Dr. Oleksandra Kukharenko
Prof. Dr. Benno Liebchen
Prof. Dr. Maria Lukáčová
Prof. Dr. Florian Müller-Plathe
Dr. Arash Nikoubashman
Prof. Dr.-Ing. Martin Oberlack
Dr. Joseph F. Rudzinski
Prof. Dr. Friederike Schmid
Prof. Dr. Thomas Speck
Dr. Lukas Stelzl
Dr. Stella Stopkowicz
Dr. Torsten Stühn
Prof. Dr. Nico van der Vegt
Dr. Peter Virnau
Prof. Dr. Michael Vogel
Prof. Dr. Michael Wand
Prof. Dr. Yongqi Wang
Collaborators
Prof. Dr. Markus Bachmayr
Dr. Tristan Bereau
Prof. Dr. Davide Donadio
Dr. Sara Jabbari Farouji
Dr. Alf Gerisch
Prof. Dr. Andreas Hildebrandt
Prof. Dr. Jens Lang
Dr. Frédéric Leroy
Dr. Yuki Nagata
Dr. Raffaello Potestio
Prof. Dr. Thorsten Raasch
Dr. Giovanni Settanni
Prof. Dr. Marialore Sulpizi
Prof. Dr. Omar Valsson
Projects
Projects – A: Dynamics
Project A2: Dynamically consistent coarse-grained models
Project A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems
Project A4 (E): Understanding Water Relaxation Dynamics at Interfaces
Project A5 (E): Heat transfer in polymer nanocomposites
Project A6: Coarse-grained models for dynamically asymmetric liquid mixtures under non-equilibrium conditions
Project A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics
Project A8: Roberto – Improved dynamics in hybrid particle-field molecular dynamics simulations of polymers
Project A9: Coarse grained non-equilibrium dynamics of active soft matter
Project A10 (N): Population control of multiple walker simulations via a birth/death process
Projects B: Particle based coarse-graining and mixed resolution schemes
Project B1: Inverse problems in coarse-grained particle simulations
Project B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
Project B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulation
Project B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
Project B5: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
Project B6: Topological validation of coarse-grained polymer models
Project B7: Automated model building and representation learning for multiscale simulations
Project B8 (N): Hydrodynamic Simulation of Passive and Active Janus Particles
Projects – C: Bridging the particle-continuum gap
Project C1: Using molecular fields to bridge between particle and continuum representations of macromolecular systems
Project C3: Spinodal decomposition of polymer-solvent systems
Project C4 (E): Coarse-graining frequency-dependent phenomena and memory in colloidal systems
Project C5: Adaptive hybrid multiscale simulations of soft matter fluids
Project C6 (E): Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles
Project C7: Dense active suspensions in the chaotic regime
Project C8: Numerical approximation of high-dimensional Fokker-Planck equations
Project G: Central soft matter simulation platform
Guests
IRTG
Admission and Qualification
IRTG – Activities
PhD progress management
Support for attendance of conferences
Lecture cycle
Student seminar cycle
Annual Retreat
Summer and winter schools
Focus seminars
Complementary training
Research stay abroad
Student initiatives
Short term doctoral fellowships
IRTG Organization
Publications
2023 – Publications
2022 – Publications
2021 – Publications
2020 – Publications
2019 – Publications
2018 – Publications
2017 – Publications
2016 – Publications
2015 – Publications
pre 2015 – Publications
Openings
Research opportunities for Ukrainian scientists
Download Center
Home
Activities
Seminars
Events
People
Organisation
Niklas Litzenberger
Dr. Markus Haack
Members
Dr. Denis Andrienko
Prof. Dr.-Ing. André Brinkmann
Prof. Dr. Michele Cascella
Dr. Robin Cortes-Huerto
Dr. Kostas Daoulas
Prof. Dr. Gregor Diezemann
Prof. Dr. Burkhard Dünweg
Prof. Dr. Herbert Egger
Prof. Dr. Jürgen Gauss
Prof. Dr. Martin Hanke-Bourgeois
Jun.-Prof. Dr. Lisa Hartung
Prof. Dr. Kurt Kremer
Dr. Oleksandra Kukharenko
Prof. Dr. Benno Liebchen
Prof. Dr. Maria Lukáčová
Prof. Dr. Florian Müller-Plathe
Dr. Arash Nikoubashman
Prof. Dr.-Ing. Martin Oberlack
Dr. Joseph F. Rudzinski
Prof. Dr. Friederike Schmid
Prof. Dr. Thomas Speck
Dr. Lukas Stelzl
Dr. Stella Stopkowicz
Dr. Torsten Stühn
Prof. Dr. Nico van der Vegt
Dr. Peter Virnau
Prof. Dr. Michael Vogel
Prof. Dr. Michael Wand
Prof. Dr. Yongqi Wang
Collaborators
Prof. Dr. Markus Bachmayr
Dr. Tristan Bereau
Prof. Dr. Davide Donadio
Dr. Sara Jabbari Farouji
Dr. Alf Gerisch
Prof. Dr. Andreas Hildebrandt
Prof. Dr. Jens Lang
Dr. Frédéric Leroy
Dr. Yuki Nagata
Dr. Raffaello Potestio
Prof. Dr. Thorsten Raasch
Dr. Giovanni Settanni
Prof. Dr. Marialore Sulpizi
Prof. Dr. Omar Valsson
Projects
Projects – A: Dynamics
Project A2: Dynamically consistent coarse-grained models
Project A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems
Project A4 (E): Understanding Water Relaxation Dynamics at Interfaces
Project A5 (E): Heat transfer in polymer nanocomposites
Project A6: Coarse-grained models for dynamically asymmetric liquid mixtures under non-equilibrium conditions
Project A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics
Project A8: Roberto – Improved dynamics in hybrid particle-field molecular dynamics simulations of polymers
Project A9: Coarse grained non-equilibrium dynamics of active soft matter
Project A10 (N): Population control of multiple walker simulations via a birth/death process
Projects B: Particle based coarse-graining and mixed resolution schemes
Project B1: Inverse problems in coarse-grained particle simulations
Project B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
Project B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulation
Project B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
Project B5: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
Project B6: Topological validation of coarse-grained polymer models
Project B7: Automated model building and representation learning for multiscale simulations
Project B8 (N): Hydrodynamic Simulation of Passive and Active Janus Particles
Projects – C: Bridging the particle-continuum gap
Project C1: Using molecular fields to bridge between particle and continuum representations of macromolecular systems
Project C3: Spinodal decomposition of polymer-solvent systems
Project C4 (E): Coarse-graining frequency-dependent phenomena and memory in colloidal systems
Project C5: Adaptive hybrid multiscale simulations of soft matter fluids
Project C6 (E): Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles
Project C7: Dense active suspensions in the chaotic regime
Project C8: Numerical approximation of high-dimensional Fokker-Planck equations
Project G: Central soft matter simulation platform
Guests
IRTG
Admission and Qualification
IRTG – Activities
PhD progress management
Support for attendance of conferences
Lecture cycle
Student seminar cycle
Annual Retreat
Summer and winter schools
Focus seminars
Complementary training
Research stay abroad
Student initiatives
Short term doctoral fellowships
IRTG Organization
Publications
2023 – Publications
2022 – Publications
2021 – Publications
2020 – Publications
2019 – Publications
2018 – Publications
2017 – Publications
2016 – Publications
2015 – Publications
pre 2015 – Publications
Openings
Research opportunities for Ukrainian scientists
Download Center
Project B6 (N)
