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

Project Information

NoMaMemo

Grant agreement ID: 835117

DOI 10.3030/835117

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

Publications

Peer reviewed articles (30)

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

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

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

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

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

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

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

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

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

Other (4)

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

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

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

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