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

Project Information

NoMaMemo

Grant agreement ID: 835117

DOI

10.3030/835117

Project closed

EC signature date 26 July 2019

Start date 1 December 2019

End date 31 August 2025

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 983 744,00

EU contribution

€ 1 983 744,00

Coordinated by

FREIE UNIVERSITAET BERLIN
Germany

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (42)

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

Author(s): Roland R. Netz
Published in: Physical Review E, Issue 110, 2024, Page(s) 014123, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/physreve.110.014123

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

Author(s): Laura Scalfi Domenico Vitali Henrik Kiefer Roland R. Netz
Published in: The Journal of Chemical Physics, Issue 158, 2023, Page(s) 191101, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0151406

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

Author(s): Florian N. Brünig; Jan O. Daldrop; Roland R. Netz
Published in: The Journal of Physical Chemistry B, Issue 126/49, 2022, Page(s) 10295-10304, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.2c05923

pH Modulates Friction Memory Effects in Protein Folding

Author(s): Benjamin A. Dalton, Roland R. Netz
Published in: Physical Review Letters, Issue 133, 2025, Page(s) 188401, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.133.188401

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

Author(s): Florian Brünig, Manuel Rammler, Ellen M Adams, Martina Havenith, Roland R Netz
Published in: Nature Communications, Issue 13/1, 2022, Page(s) 4210, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-022-31700-x

Accurate Memory Kernel Extraction from Discretized Time-Series Data

Author(s): Lucas Tepper Benjamin A. Dalton Roland R. Netz
Published in: J. Chem. Theory Comput., Issue 20, 8, 2024, Page(s) 3061–3068, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.3c01289

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

Author(s): Qingyuan Zhou, Artur Bakaev, Laura Lavacchi, Roland R. Netz, Benjamin A. Dalton
Published in: Physical Review E, Issue 111, 2025, ISSN 2470-0045
Publisher: American Physical Society (APS)
DOI: 10.1103/physreve.111.064110

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

Author(s): Roland R. Netz
Published in: The Journal of Physical Chemistry B, Issue 124/33, 2020, Page(s) 7093-7101, ISSN 1520-6106
Publisher: 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

Author(s): Philip Loche; Laura Scalfi; Mustakim Ali Amu; Otto Schullian; Douwe J. Bonthuis; Benjamin Rotenberg; Roland R. Netz
Published in: The Journal of Chemical Physics, Issue 157, 2022, Page(s) 094707, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0101509

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

Author(s): Anton Klimek; Debasmita Mondal; Stephan Block; Prerna Sharma; Roland R. Netz
Published in: Biophysical Journal, Issue 123, 10, 2024, Page(s) 173-1183, ISSN 0006-3495
Publisher: Biophysical Society
DOI: 10.1016/j.bpj.2024.03.023

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

Author(s): Laura Lavacchi; Jan Daldrop; Roland R Netz
Published in: Europhysics Letters, Issue 139/5, 2022, Page(s) 51001, ISSN 0295-5075
Publisher: EDP Sciences
DOI: 10.1209/0295-5075/ac85d6

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

Author(s): L. Lavacchi, R. R. Netz
Published in: The Journal of Chemical Physics, Issue 161, 2025, ISSN 0021-9606
Publisher: 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

Author(s): Roland R. Netz
Published in: Physical Review E, Issue 111, 2025, ISSN 2470-0045
Publisher: American Physical Society (APS)
DOI: 10.1103/physreve.111.054132

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

Author(s): Majid Rezaei, Roland R. Netz
Published in: Current Opinion in Colloid & Interface Science, Issue 55, 2021, Page(s) 101471, ISSN 1359-0294
Publisher: Pergamon Press
DOI: 10.1016/j.cocis.2021.101471

Negative friction memory induces persistent motion

Author(s): Bernhard G. Mitterwallner, Laura Lavacchi, Roland R. Netz
Published in: The European Physical Journal E, Issue 43/10, 2020, ISSN 1292-8941
Publisher: 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

Author(s): Lenard Neander, Cedric Hannemann, Roland R. Netz, Anil Kumar Sahoo
Published in: JACS Au, Issue 5, 2025, Page(s) 204-216, ISSN 2691-3704
Publisher: American Chemical Society (ACS)
DOI: 10.1021/jacsau.4c00886

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

Author(s): Bernhard G. Mitterwallner, Christoph Schreiber, Jan O. Daldrop, Joachim O. Rädler, Roland R. Netz
Published in: Physical Review E, Issue 101/3, 2020, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/physreve.101.032408

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

Author(s): Cihan Ayaz; Lucas Tepper; Roland R. Netz
Published in: Turkish Journal of Phys cs, Issue 46, 2022, Page(s) 194 – 205, ISSN 1303-6122
Publisher: TUBITAK
DOI: 10.55730/1300-0101.2726

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

Author(s): Florian N. Brünig, Roland R. Netz, and Julian Kappler
Published in: Physical Review E, Issue 106, 2022, Page(s) 044133, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/physreve.106.044133

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

Author(s): Amir Abbasi; Roland R. Netz; Ali Naji
Published in: Physical Review Letters, Issue 131, 2023, Page(s) 228202, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/physrevlett.131.228202

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

Author(s): Laura Scalfi, Maximilian R. Becker, Roland R. Netz, and Marie-Laure Bocquet
Published in: Communications Chemistry, Issue 236, 2023, Page(s) -, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s42004-023-01027-9

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

Author(s): Arthur V. Straube, Bartosz G. Kowalik, Roland R. Netz, Felix Höfling
Published in: Communications Physics, Issue 3/1, 2020, ISSN 2399-3650
Publisher: Nature Publishing
DOI: 10.1038/s42005-020-0389-0

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

Author(s): Florian N. Brünig; Roland R. Netz; Julian Kappler
Published in: Physical Review E, Issue 106/4, 2022, Page(s) 044133, ISSN 2470-0045
Publisher: American Physical Society

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

Author(s): Benjamin A. Dalton Henrik Kiefer Roland R. Netz
Published in: Nature Communications, Issue 15, 2024, Page(s) 3761, ISSN 2041-1723
Publisher: 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

Author(s): Roland R. Netz
Published in: Physical Review E, Issue 101/2, 2020, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/physreve.101.022120

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

Author(s): Robert F. Schmidt, Henrik Kiefer, Robert Dalgliesh, Michael Gradzielski, and Roland R. Netz
Published in: Nano Letters, Issue 24,16, 2024, Page(s) 4758–4765, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.3c04884

Memory and Friction: From the Nanoscale to the Macroscale

Author(s): Benjamin A. Dalton, Anton Klimek, Henrik Kiefer, Florian N. Brünig, Hélène Colinet, Lucas Tepper, Amir Abbasi, Roland R. Netz
Published in: Annual Review of Physical Chemistry, Issue 76, 2025, Page(s) 431-454, ISSN 0066-426X
Publisher: 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

Author(s): Ayaz, Cihan and Scalfi, Laura and Dalton, Benjamin A. and Netz, Roland R.
Published in: Physical Review E, Issue 105/5, 2022, Page(s) 054138, ISSN 2470-0045
Publisher: 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

Author(s): Maria Duenas-Herrera, Douwe Jan Bonthuis, Philip Loche, Roland R. Netz, Laura Scalfi
Published in: The Journal of Chemical Physics, Issue 161, 2025, Page(s) 074506, ISSN 0021-9606
Publisher: 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

Author(s): Laura Scalfi, Louis Lehmann, Alexandre P. dos Santos, Maximilian R. Becker, Roland R. Netz
Published in: The Journal of Chemical Physics, Issue 161, 2025, Page(s) 144701, ISSN 0021-9606
Publisher: 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

Author(s): Majid Rezaei; Roland R. Netz
Published in: Physics of Fluids, Issue 33/9, 2021, Page(s) 091901, ISSN 1070-6631
Publisher: American Institute of Physics
DOI: 10.1063/5.0060080

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

Author(s): F. N. Brünig, B. A. Dalton, J. O. Daldrop, R. R. Netz
Published in: Europhysics Letters, Issue 150, 2025, Page(s) 51003, ISSN 0295-5075
Publisher: EDP Sciences
DOI: 10.1209/0295-5075/adda75

Fast protein folding is governed by memory-dependent friction

Author(s): Benjamin A. Dalton; Cihan Ayaz; Henrik Kiefer; Anton Klimek; Lucas Tepper; Roland R. Netz
Published in: Proceedings of the National Academy of Sciences, Issue 120, 2023, Page(s) e2220068120, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2220068120

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

Author(s): Shane R. Carlson, Otto Schullian, Maximilian R. Becker, and Roland R. Netz
Published in: J. Phys. Chem. Lett., Issue 15, 24, 2024, Page(s) 6325, ISSN 1520-6106
Publisher: 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

Author(s): Roland R. Netz
Published in: Physical Review E, Issue 112, 2025, Page(s) 014132, ISSN 2470-0045
Publisher: American Physical Society (APS)
DOI: 10.1103/4rd5-7123

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

Author(s): Henrik Kiefer, Denis Furtel, Cihan Ayaz, Anton Klimek, Jan O. Daldrop, Roland R. Netz
Published in: Newton, Issue 1, 2025, Page(s) 100138, ISSN 2950-6360
Publisher: Elsevier BV
DOI: 10.1016/j.newton.2025.100138

Physics of virus transmission by speaking droplets

Author(s): Roland R. Netz, William A. Eaton
Published in: Proceedings of the National Academy of Sciences, Issue 117/41, 2020, Page(s) 25209-25211, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2011889117

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

Author(s): Florian N. Brünig; Otto Geburtig; Alexander von Canal; Julian Kappler; Roland R. Netz
Published in: The Journal of Physical Chemistry B, Issue 126/7, 2022, Page(s) 1579, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.1c09481

Non-Markovian modeling of protein folding

Author(s): Cihan Ayaz, Lucas Tepper, Florian N. Brünig, Julian Kappler, Jan O. Daldrop, Roland R. Netz
Published in: Proceedings of the National Academy of Sciences, Issue 118/31, 2021, Page(s) e2023856118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2023856118

Estimating computational limits on theoretical descriptions of biological cells

Author(s): Roland R. Netz, William A. Eaton
Published in: Proceedings of the National Academy of Sciences, Issue 118/6, 2021, Page(s) e2022753118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2022753118

Optimal non-Markovian composite search algorithms for spatially correlated targets

Author(s): Anton Klimek, Roland. R. Netz
Published in: IOP Publishing, 2022, ISSN 0295-5075
Publisher: EDP Sciences
DOI: 10.1209/0295-5075/ac4e2b

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

Author(s): Laura Lavacchi, Benjamin A. Dalton, Roland R. Netz
Published in: The European Physical Journal E, Issue 48, 2025, ISSN 1292-8941
Publisher: Springer Verlag
DOI: 10.1140/epje/s10189-025-00488-1

Other (7)

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

Author(s): Netz, Roland R
Published in: arXiv, Issue -, 2024, Page(s) -
Publisher: arXiv
DOI: 10.48550/arxiv.2310.08886

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

Author(s): Henrik Kiefer, Benjamin J. A. Héry, Lucas Tepper, Benjamin A. Dalton, Cihan Ayaz, Roland R. Netz
Published in: arXiv, Issue 21 May 2025, 2025
Publisher: arXiv

pH modulates friction memory effects in protein folding

Author(s): Dalton, Benjamin A.; Netz, Roland R.
Published in: arXiv, 2024
Publisher: arXiv
DOI: 10.48550/arxiv.2401.12027

Robust cytoplasmic partitioning by solving an intrinsic cytoskeletal instability

Author(s): Melissa Rinaldin, Alison Kickuth, Benjamin Dalton, Yitong Xu, Stefano Di Talia, Jan Brugués
Published in: bioXiv, Issue -, 2024, Page(s) -
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.03.12.584684

Rapid state-recrossing kinetics in non-Markovian systems

Author(s): Qingyuan Zhou, Roland R. Netz, Benjamin A. Dalton
Published in: arXiv, Issue -, 2024, Page(s) -
Publisher: arXiv
DOI: 10.48550/arxiv.2403.06604

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

Author(s): Henrik Kiefer, Cihan Ayaz, Benjamin A. Dalton, Roland R. Netz
Published in: arXiv, Issue 6 Jun 2025, 2025
Publisher: arXiv

Quantifying the efficiency of principal signal transmission modes in proteins

Author(s): Anil Kumar Sahoo, Richard Schwarzl, Markus S. Miettinen, Roland R. Netz
Published in: arXiv, Issue -, 2024, Page(s) -
Publisher: arXiv
DOI: 10.48550/arxiv.2403.12312