In recent years, there has been a revolution in the capability to measure and observe the processes of life on many temporal and spatial scales. Simultaneously, our ability to perform extensive simulations of molecular, cellular, and tissue-scale processes has substantially improved and will continue to do so. Research at ZIB is focused on extending this expertise towards spatiotemporal modeling and simulation across the molecular and cellular scales, from pushing time-scale and accuracy barriers, via a combination of the development of novel theoretical and algorithmic techniques for effective molecular or particle dynamics with machine learning, to spatio-temporal hybrid models coupling molecular with extra- and intra-cellular processes. Our projects target seamless integration of new mathematical approaches with incorporation of experimental data, high performance computing, and/or large-scale data analysis, and contribute to finding new strategies in relevant real-world applications like drug design or neurotransmission.

MATH+ AA1-20

Geometric Learning for Single-Cell RNA Velocity Modeling

Biological cells undergo state transitions, measurable with single-cell RNA sequencing. RNA velocity estimates gene expression change rates, forming velocity vectors...

Geometric Learning for Single-Cell RNA Velocity Modeling
AA1-19 Drug Candidates as Pareto Optima in Chemical Space

AA1-19 Drug Candidates as Pareto Optima in Chemical Space

Die Suche nach Wirkstoffkandidaten mit geringen Nebenwirkungen kann als ein multiobjektiven Optimierungsproblem (MOOP) im chemischen Raum interpretiert werden. Mittels...

AA1-19 Drug Candidates as Pareto Optima in Chemical Space
opinion dynamics

Opinion Dynamics

The literature contains a manifold of fundamental models for the dynamical changes of opinions through social influence during social interaction (personal, social...

Opinion Dynamics
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Manifold-Valued Graph Neural Networks

Geometry-aware, data-analytic approaches improve understanding and assessment of pathophysiological processes. We will derive a new theoretical framework for deep neural...

Manifold-Valued Graph Neural Networks
Human

Individualized Morphological Analysis of the Human Spine

The causes of low back pain are not yet fully understood. One essential part of a better understanding is the knowledge about the relationship between spinal morphology... Individualized Morphological Analysis of the Human Spine
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Reduced Basis Methods in Orthopedic Hip Surgery Planning

This project aims at the development, analysis and implementation of algorithms for computer-assisted planning in hip surgery and hip joint replacement by fast virtual... Reduced Basis Methods in Orthopedic Hip Surgery Planning
MODAL

Research Campus MODAL

The Forschungscampus ("Research Campus") MODAL is a platform for a public-private innovation partnership established by ZIB and Freie Universität Berlin together with... Research Campus MODAL
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MODAL-MedLab

Changes in cells while they are undergoing transformation from "normal" to malignant cells (e.g. during infections) happen on many biological levels, such as genome... MODAL-MedLab