Non-Markovian Memory-Based Modelling of Near- and Far-From-Equilibrium Dynamical Systems

Información del proyecto

NoMaMemo

Identificador del acuerdo de subvención: 835117

DOI

10.3030/835117

Proyecto cerrado

Fecha de la firma de la CE 26 Julio 2019

Fecha de inicio 1 Diciembre 2019

Fecha de finalización 31 Agosto 2025

Financiado con arreglo a

• EXCELLENT SCIENCE - European Research Council (ERC)

Coste total

€ 1 983 744,00

Aportación de la UE

€ 1 983 744,00

Coordinado por

FREIE UNIVERSITAET BERLIN
Germany

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Publicaciones

Peer reviewed articles (42)

Derivation of the nonequilibrium generalized Langevin equation from a time-dependent many-body Hamiltonian

Autores: Roland R. Netz
Publicado en: Physical Review E, Edición 110, 2024, Página(s) 014123, ISSN 2470-0045
Editor: American Physical Society
DOI: 10.1103/physreve.110.014123

Frequency-dependent hydrodynamic finite size correction in molecular simulations reveals the long-time hydrodynamic tail

Autores: Laura Scalfi Domenico Vitali Henrik Kiefer Roland R. Netz
Publicado en: The Journal of Chemical Physics, Edición 158, 2023, Página(s) 191101, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0151406

Pair-Reaction Dynamics in Water: Competition of Memory, Potential Shape, and Inertial Effects

Autores: Florian N. Brünig; Jan O. Daldrop; Roland R. Netz
Publicado en: The Journal of Physical Chemistry B, Edición 126/49, 2022, Página(s) 10295-10304, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jpcb.2c05923

pH Modulates Friction Memory Effects in Protein Folding

Autores: Benjamin A. Dalton, Roland R. Netz
Publicado en: Physical Review Letters, Edición 133, 2025, Página(s) 188401, ISSN 0031-9007
Editor: American Physical Society
DOI: 10.1103/physrevlett.133.188401

Spectral signatures of excess-proton waiting and transfer-path dynamics in aqueous hydrochloric acid solutions

Autores: Florian Brünig, Manuel Rammler, Ellen M Adams, Martina Havenith, Roland R Netz
Publicado en: Nature Communications, Edición 13/1, 2022, Página(s) 4210, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-022-31700-x

Accurate Memory Kernel Extraction from Discretized Time-Series Data

Autores: Lucas Tepper Benjamin A. Dalton Roland R. Netz
Publicado en: J. Chem. Theory Comput., Edición 20, 8, 2024, Página(s) 3061–3068, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jctc.3c01289

Rapid state-recrossing kinetics and slow escape kinetics in non-Markovian systems

Autores: Qingyuan Zhou, Artur Bakaev, Laura Lavacchi, Roland R. Netz, Benjamin A. Dalton
Publicado en: Physical Review E, Edición 111, 2025, ISSN 2470-0045
Editor: American Physical Society (APS)
DOI: 10.1103/physreve.111.064110

Mechanisms of Airborne Infection via Evaporating and Sedimenting Droplets Produced by Speaking

Autores: Roland R. Netz
Publicado en: The Journal of Physical Chemistry B, Edición 124/33, 2020, Página(s) 7093-7101, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jpcb.0c05229

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Autores: Philip Loche; Laura Scalfi; Mustakim Ali Amu; Otto Schullian; Douwe J. Bonthuis; Benjamin Rotenberg; Roland R. Netz
Publicado en: The Journal of Chemical Physics, Edición 157, 2022, Página(s) 094707, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0101509

Data-driven classification of individual cells by their non-Markovian motion

Autores: Anton Klimek; Debasmita Mondal; Stephan Block; Prerna Sharma; Roland R. Netz
Publicado en: Biophysical Journal, Edición 123, 10, 2024, Página(s) 173-1183, ISSN 0006-3495
Editor: Biophysical Society
DOI: 10.1016/j.bpj.2024.03.023

Non-Arrhenius barrier crossing dynamics of non-equilibrium non-Markovian systems

Autores: Laura Lavacchi; Jan Daldrop; Roland R Netz
Publicado en: Europhysics Letters, Edición 139/5, 2022, Página(s) 51001, ISSN 0295-5075
Editor: EDP Sciences
DOI: 10.1209/0295-5075/ac85d6

Barrier-crossing transition-path times for non-Markovian systems

Autores: L. Lavacchi, R. R. Netz
Publicado en: The Journal of Chemical Physics, Edición 161, 2025, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0225742

Temporal coarse graining and elimination of slow and periodic dynamics with the generalized Langevin equation for convolution-time-filtered observables

Autores: Roland R. Netz
Publicado en: Physical Review E, Edición 111, 2025, ISSN 2470-0045
Editor: American Physical Society (APS)
DOI: 10.1103/physreve.111.054132

Airborne virus transmission via respiratory droplets: Effects of droplet evaporation and sedimentation

Autores: Majid Rezaei, Roland R. Netz
Publicado en: Current Opinion in Colloid & Interface Science, Edición 55, 2021, Página(s) 101471, ISSN 1359-0294
Editor: Pergamon Press
DOI: 10.1016/j.cocis.2021.101471

Negative friction memory induces persistent motion

Autores: Bernhard G. Mitterwallner, Laura Lavacchi, Roland R. Netz
Publicado en: The European Physical Journal E, Edición 43/10, 2020, ISSN 1292-8941
Editor: Springer Verlag
DOI: 10.1140/epje/i2020-11992-5

Quantitative Prediction of Protein–Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD

Autores: Lenard Neander, Cedric Hannemann, Roland R. Netz, Anil Kumar Sahoo
Publicado en: JACS Au, Edición 5, 2025, Página(s) 204-216, ISSN 2691-3704
Editor: American Chemical Society (ACS)
DOI: 10.1021/jacsau.4c00886

Non-Markovian data-driven modeling of single-cell motility

Autores: Bernhard G. Mitterwallner, Christoph Schreiber, Jan O. Daldrop, Joachim O. Rädler, Roland R. Netz
Publicado en: Physical Review E, Edición 101/3, 2020, ISSN 2470-0045
Editor: American Physical Society
DOI: 10.1103/physreve.101.032408

Markovian embedding of generalized Langevin equations with a nonlinear friction kernel and configuration-dependent mass

Autores: Cihan Ayaz; Lucas Tepper; Roland R. Netz
Publicado en: Turkish Journal of Phys cs, Edición 46, 2022, Página(s) 194 – 205, ISSN 1303-6122
Editor: TUBITAK
DOI: 10.55730/1300-0101.2726

Barrier-crossing times for different non-Markovian friction in well and barrier: A numerical study

Autores: Florian N. Brünig, Roland R. Netz, and Julian Kappler
Publicado en: Physical Review E, Edición 106, 2022, Página(s) 044133, ISSN 2470-0045
Editor: American Physical Society
DOI: 10.1103/physreve.106.044133

Non-Markovian Modeling of Nonequilibrium Fluctuations and Dissipation in Active Viscoelastic Biomatter

Autores: Amir Abbasi; Roland R. Netz; Ali Naji
Publicado en: Physical Review Letters, Edición 131, 2023, Página(s) 228202, ISSN 2470-0045
Editor: American Physical Society
DOI: 10.1103/physrevlett.131.228202

Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene

Autores: Laura Scalfi, Maximilian R. Becker, Roland R. Netz, and Marie-Laure Bocquet
Publicado en: Communications Chemistry, Edición 236, 2023, Página(s) -, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s42004-023-01027-9

Rapid onset of molecular friction in liquids bridging between the atomistic and hydrodynamic pictures

Autores: Arthur V. Straube, Bartosz G. Kowalik, Roland R. Netz, Felix Höfling
Publicado en: Communications Physics, Edición 3/1, 2020, ISSN 2399-3650
Editor: Nature Publishing
DOI: 10.1038/s42005-020-0389-0

Barrier-crossing times for different non-Markovian friction in well and barrier $-$ A numerical study

Autores: Florian N. Brünig; Roland R. Netz; Julian Kappler
Publicado en: Physical Review E, Edición 106/4, 2022, Página(s) 044133, ISSN 2470-0045
Editor: American Physical Society

The role of memory-dependent friction and solvent viscosity in isomerization kinetics in viscogenic media

Autores: Benjamin A. Dalton Henrik Kiefer Roland R. Netz
Publicado en: Nature Communications, Edición 15, 2024, Página(s) 3761, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-024-48016-7

Approach to equilibrium and nonequilibrium stationary distributions of interacting many-particle systems that are coupled to different heat baths

Autores: Roland R. Netz
Publicado en: Physical Review E, Edición 101/2, 2020, ISSN 2470-0045
Editor: American Physical Society
DOI: 10.1103/physreve.101.022120

Nanoscopic Interfacial Hydrogel Viscoelasticity Revealed from Comparison of Macroscopic and Microscopic Rheology

Autores: Robert F. Schmidt, Henrik Kiefer, Robert Dalgliesh, Michael Gradzielski, and Roland R. Netz
Publicado en: Nano Letters, Edición 24,16, 2024, Página(s) 4758–4765, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.nanolett.3c04884

Memory and Friction: From the Nanoscale to the Macroscale

Autores: Benjamin A. Dalton, Anton Klimek, Henrik Kiefer, Florian N. Brünig, Hélène Colinet, Lucas Tepper, Amir Abbasi, Roland R. Netz
Publicado en: Annual Review of Physical Chemistry, Edición 76, 2025, Página(s) 431-454, ISSN 0066-426X
Editor: Annual Reviews, Inc.
DOI: 10.1146/annurev-physchem-082423-031037

Generalized Langevin equation with a nonlinear potential of mean force and nonlinear memory friction from a hybrid projection scheme

Autores: Ayaz, Cihan and Scalfi, Laura and Dalton, Benjamin A. and Netz, Roland R.
Publicado en: Physical Review E, Edición 105/5, 2022, Página(s) 054138, ISSN 2470-0045
Editor: American Physical Society
DOI: 10.1103/physreve.105.054138

Force field for halide and alkali ions in water based on single-ion and ion-pair thermodynamic properties for a wide range of concentrations

Autores: Maria Duenas-Herrera, Douwe Jan Bonthuis, Philip Loche, Roland R. Netz, Laura Scalfi
Publicado en: The Journal of Chemical Physics, Edición 161, 2025, Página(s) 074506, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0217998

Propensity of hydroxide and hydronium ions for the air–water and graphene–water interfaces from <i>ab initio</i> and force field simulations

Autores: Laura Scalfi, Louis Lehmann, Alexandre P. dos Santos, Maximilian R. Becker, Roland R. Netz
Publicado en: The Journal of Chemical Physics, Edición 161, 2025, Página(s) 144701, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0226966

Water evaporation from solute-containing aerosol droplets: Effects of internal concentration and diffusivity profiles and onset of crust formation

Autores: Majid Rezaei; Roland R. Netz
Publicado en: Physics of Fluids, Edición 33/9, 2021, Página(s) 091901, ISSN 1070-6631
Editor: American Institute of Physics
DOI: 10.1063/5.0060080

Transition-path probability depends non-monotonically on memory time for non-Markovian systems

Autores: F. N. Brünig, B. A. Dalton, J. O. Daldrop, R. R. Netz
Publicado en: Europhysics Letters, Edición 150, 2025, Página(s) 51003, ISSN 0295-5075
Editor: EDP Sciences
DOI: 10.1209/0295-5075/adda75

Fast protein folding is governed by memory-dependent friction

Autores: Benjamin A. Dalton; Cihan Ayaz; Henrik Kiefer; Anton Klimek; Lucas Tepper; Roland R. Netz
Publicado en: Proceedings of the National Academy of Sciences, Edición 120, 2023, Página(s) e2220068120, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2220068120

Modeling Water Interactions with Graphene and Graphite via Force Fields Consistent with Experimental Contact Angles

Autores: Shane R. Carlson, Otto Schullian, Maximilian R. Becker, and Roland R. Netz
Publicado en: J. Phys. Chem. Lett., Edición 15, 24, 2024, Página(s) 6325, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.4c01143

Time-dependent trajectory of a one-dimensional Gaussian non-Markovian observable does not reveal its nonequilibrium character

Autores: Roland R. Netz
Publicado en: Physical Review E, Edición 112, 2025, Página(s) 014132, ISSN 2470-0045
Editor: American Physical Society (APS)
DOI: 10.1103/4rd5-7123

Prediction of weather and financial time-series data via a Hamiltonian-based filter-projection approach

Autores: Henrik Kiefer, Denis Furtel, Cihan Ayaz, Anton Klimek, Jan O. Daldrop, Roland R. Netz
Publicado en: Newton, Edición 1, 2025, Página(s) 100138, ISSN 2950-6360
Editor: Elsevier BV
DOI: 10.1016/j.newton.2025.100138

Physics of virus transmission by speaking droplets

Autores: Roland R. Netz, William A. Eaton
Publicado en: Proceedings of the National Academy of Sciences, Edición 117/41, 2020, Página(s) 25209-25211, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2011889117

Time-Dependent Friction Effects on Vibrational Infrared Frequencies and Line Shapes of Liquid Water

Autores: Florian N. Brünig; Otto Geburtig; Alexander von Canal; Julian Kappler; Roland R. Netz
Publicado en: The Journal of Physical Chemistry B, Edición 126/7, 2022, Página(s) 1579, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jpcb.1c09481

Non-Markovian modeling of protein folding

Autores: Cihan Ayaz, Lucas Tepper, Florian N. Brünig, Julian Kappler, Jan O. Daldrop, Roland R. Netz
Publicado en: Proceedings of the National Academy of Sciences, Edición 118/31, 2021, Página(s) e2023856118, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2023856118

Estimating computational limits on theoretical descriptions of biological cells

Autores: Roland R. Netz, William A. Eaton
Publicado en: Proceedings of the National Academy of Sciences, Edición 118/6, 2021, Página(s) e2022753118, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2022753118

Optimal non-Markovian composite search algorithms for spatially correlated targets

Autores: Anton Klimek, Roland. R. Netz
Publicado en: IOP Publishing, 2022, ISSN 0295-5075
Editor: EDP Sciences
DOI: 10.1209/0295-5075/ac4e2b

Non-Markovian equilibrium and non-equilibrium barrier-crossing kinetics in asymmetric double-well potentials

Autores: Laura Lavacchi, Benjamin A. Dalton, Roland R. Netz
Publicado en: The European Physical Journal E, Edición 48, 2025, ISSN 1292-8941
Editor: Springer Verlag
DOI: 10.1140/epje/s10189-025-00488-1

Other (7)

Multi-point distribution for Gaussian non-equilibrium non-Markovian observables

Autores: Netz, Roland R
Publicado en: arXiv, Edición -, 2024, Página(s) -
Editor: arXiv
DOI: 10.48550/arxiv.2310.08886

Analysis and Simulation of Generalized Langevin Equations with Non-Gaussian Orthogonal Forces

Autores: Henrik Kiefer, Benjamin J. A. Héry, Lucas Tepper, Benjamin A. Dalton, Cihan Ayaz, Roland R. Netz
Publicado en: arXiv, Edición 21 May 2025, 2025
Editor: arXiv

pH modulates friction memory effects in protein folding

Autores: Dalton, Benjamin A.; Netz, Roland R.
Publicado en: arXiv, 2024
Editor: arXiv
DOI: 10.48550/arxiv.2401.12027

Robust cytoplasmic partitioning by solving an intrinsic cytoskeletal instability

Autores: Melissa Rinaldin, Alison Kickuth, Benjamin Dalton, Yitong Xu, Stefano Di Talia, Jan Brugués
Publicado en: bioXiv, Edición -, 2024, Página(s) -
Editor: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.03.12.584684

Rapid state-recrossing kinetics in non-Markovian systems

Autores: Qingyuan Zhou, Roland R. Netz, Benjamin A. Dalton
Publicado en: arXiv, Edición -, 2024, Página(s) -
Editor: arXiv
DOI: 10.48550/arxiv.2403.06604

The influence of multi-dimensionality and off-diagonal non-Markovian friction coupling on coarse-grained dynamics

Autores: Henrik Kiefer, Cihan Ayaz, Benjamin A. Dalton, Roland R. Netz
Publicado en: arXiv, Edición 6 Jun 2025, 2025
Editor: arXiv

Quantifying the efficiency of principal signal transmission modes in proteins

Autores: Anil Kumar Sahoo, Richard Schwarzl, Markus S. Miettinen, Roland R. Netz
Publicado en: arXiv, Edición -, 2024, Página(s) -
Editor: arXiv
DOI: 10.48550/arxiv.2403.12312