-
Molecular Structure and Dynamics in Wet Gecko β-Keratin
Coarse-grained molecular dynamics simulation of Gecko keratin interacting with a solid substrate under various wet and dry conditions, pull-off forces, dry adhesion. -
Water Uptake by Gecko β-Keratin
Grand-canonical atomistic simulation of the water uptake by gecko β-keratin at different relative humidities, influence of water content on its volume swelling and elasticity. -
Continuum–Particle Coupling for Polymer Simulations
Development of a new scheme for concurrent coupling of molecular dynamics and finite element simulations. Application to large-scale deformation of polymer glasses. -
Self-Assembly of Model Triblock Janus Colloidal Particles in Two Dimensions
Steered simulation of two-dimensional self-assembly of triblock Janus particles on a solid substrate into different ordered structures. Dependence of structure, pathway, and... -
Self-Assembly of Model Three- and Four-Patch Colloidal Particles in Two Dimensions
Assembly of patchy particles on a substrate into ordered structures, depending on their surface structure and chemistry. -
Metadynamics of Three-Dimensional Nanocrystals of Triblock Janus Nanoparticles
Steered simulation of colloidal-crystal formation from triblock Janus particles by metadynamics. Colloidal-crystal structures and relative free energies. Assembly pathways. -
Self-Assembly Pathways of Triblock Janus Particles into Three-Dimensional...
Self-assembly of tribock Janus partivles into different loose-packed structures. Dependence of the structure on the particle architecture. Assembly pathways. -
Hydrodynamic Simulation of Passive and Active Janus Particles
Self-assembly of multiblock (multipatch) Janus particles in 2 and 3 dimensions. Stable colloidal crystal structures as a function of particle architecture, assembly pathways,... -
Publication: Tuning the velocity of thermophoretic microswimmers with...
Resources related to Braun, Franziska, Aritra K. Mukhopadhyay, Samad Mahmoudi, Kevin Gräff, Atieh Razavi, Carina Schneider, Sierk Lessnau, Benno Liebchen, and Regine von... -
Publication: Learning microstructure in active matter
Scripts and codes related to Dasgupta, Writu, Suvendu Mandal, Aritra K. Mukhopadhyay, and Benno Liebchen. "Learning microstructure in active matter." arXiv preprint... -
Publication: Learning Hydro-Phoretic Interactions in Active Matter
Scripts and codes related to Bera, Palash, Aritra K. Mukhopadhyay, and Benno Liebchen. "Learning Hydro-Phoretic Interactions in Active Matter." arXiv preprint arXiv:2601.02277... -
Publication: Automated decision-making by chemical echolocation in active droplets
Scripts and codes related to Mukhopadhyay, Aritra K., Ran Niu, Linhui Fu, Kai Feng, Christopher Fujta, Qiang Zhao, Jinping Qu, and Benno Liebchen. "Automated decision-making by... -
Publication: Active adaptolates featuring motility-induced percolating...
Scripts and codes related to Mukhopadhyay, Aritra K., Peter Schmelcher, and Benno Liebchen. "Active adaptolates featuring motility-induced percolating structures with an... -
Publication: AMEP: The active matter evaluation package for Python
Scripts and codes related to Hecht, Lukas, Kay-Robert Dormann, Kai Luca Spanheimer, Mahdieh Ebrahimi, Malte Cordts, Suvendu Mandal, Aritra K. Mukhopadhyay, and Benno Liebchen....