ERD

Sampling Real-Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning

Project: DYNAPOL

Updated at: 01-11-2025

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Project acronym DYNAPOL

Self-assembly of cyclic peptide monolayers by hydrophobic supramolecular hinges

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Machine learning of microscopic structure-dynamics relationships in complex molecular systems

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Automatic optimization of lipid models in the Martini force field using SwarmCG

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

TimeSOAP: tracking high-dimensional fluctuations in complex molecular systems via time-variations of SOAP spectra

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Unsupervised Data-Driven Reconstruction of Molecular Motifs in Simple to Complex Dynamic Micelles

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Synthesis of C60/[10]CPP-catenanes by regioselective, nanocapsule-templated bingel bis-addition

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Subtle Stereochemical Effects Influence Binding and Purification Abilities of an FeII4L4</sub...

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Stereocontrolled Self-Assembly of a Helicate-Bridged CuI12L4 Cage That Emits Circularly Polarized Light

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic...

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Systematic exploration of accessible topologies of cage molecules via minimalistic models

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Into the Dynamics of Rotaxanes at Atomistic Resolution

Project: DYNAPOL

Updated at: 08-07-2024

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Project acronym DYNAPOL

Periodic Reporting for period 2 - DYNAPOL (Modeling approaches toward bioinspired dynamic materials)

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Self-Sorted, Random, and Block Supramolecular Copolymers via Sequence Controlled, Multicomponent Self-Assembly

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Reconstitution of microtubule into GTP-responsive nanocapsules

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructur...

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Solvent-driven chirality for luminescent self-assembled structures: experiments and theory

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Solvent-Driven Supramolecular Wrapping of Self-Assembled Structures

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Reconstructing reactivity in dynamic host–guest systems at atomistic resolution: amide hydrolysis under confinement in...

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in S...

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Self-assembled poly-catenanes from supramolecular toroidal building blocks

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Classifying soft self-assembled materials via unsupervised machine learning of defects

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Toward Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to...

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Exploring the Potential of Benzene-1,3,5-tricarboxamide Supramolecular Polymers as Biomaterials

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage

Project: DYNAPOL

Updated at: 27-04-2024

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Project acronym DYNAPOL

Resources

Sampling Real-Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning

Self-assembly of cyclic peptide monolayers by hydrophobic supramolecular hinges

Machine learning of microscopic structure-dynamics relationships in complex molecular systems

Automatic optimization of lipid models in the Martini force field using SwarmCG

Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles

TimeSOAP: tracking high-dimensional fluctuations in complex molecular systems via time-variations of SOAP spectra

Unsupervised Data-Driven Reconstruction of Molecular Motifs in Simple to Complex Dynamic Micelles

Synthesis of C60/[10]CPP-catenanes by regioselective, nanocapsule-templated bingel bis-addition

Subtle Stereochemical Effects Influence Binding and Purification Abilities of an Fe<sup>II</sup><sub>4</sub>L<sub>4</sub...

Stereocontrolled Self-Assembly of a Helicate-Bridged CuI12L4 Cage That Emits Circularly Polarized Light

Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments

Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling

Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices

Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic...

Systematic exploration of accessible topologies of cage molecules via minimalistic models

Into the Dynamics of Rotaxanes at Atomistic Resolution

Periodic Reporting for period 2 - DYNAPOL (Modeling approaches toward bioinspired dynamic materials)

Self-Sorted, Random, and Block Supramolecular Copolymers via Sequence Controlled, Multicomponent Self-Assembly

Reconstitution of microtubule into GTP-responsive nanocapsules

Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructur...

Solvent-driven chirality for luminescent self-assembled structures: experiments and theory

Solvent-Driven Supramolecular Wrapping of Self-Assembled Structures

Reconstructing reactivity in dynamic host–guest systems at atomistic resolution: amide hydrolysis under confinement in...

Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in S...

Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage

Self-assembled poly-catenanes from supramolecular toroidal building blocks

Classifying soft self-assembled materials via unsupervised machine learning of defects

Toward Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to...

Exploring the Potential of Benzene-1,3,5-tricarboxamide Supramolecular Polymers as Biomaterials

Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage