EDP Sciences logo
Web of Conferences logo

Article cité par

La fonctionnalité Article cité par… liste les citations d'un article. Ces citations proviennent de la base de données des articles de EDP Sciences, ainsi que des bases de données d'autres éditeurs participant au programme CrossRef Cited-by Linking Program. Vous pouvez définir une alerte courriel pour être prévenu de la parution d'un nouvel article citant " cet article (voir sur la page du résumé de l'article le menu à droite).

Article cité :

Multifidelity Gaussian Processes for Predicting Shear Viscosity over Wide Ranges of Liquid State Points Based on Molecular Dynamics Simulations

Maximilian Fleck, Joachim Gross and Niels Hansen
Industrial & Engineering Chemistry Research (2024)
https://doi.org/10.1021/acs.iecr.3c03931

Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

A Shahzad, F Yang, J Steffen, C Neiss, A Panchenko, K Goetz, C Vogel, M Weisser, J P Embs, W Petry, W Lohstroh, A Görling, I Goychuk and T Unruh
Journal of Physics: Condensed Matter 36 (17) 175403 (2024)
https://doi.org/10.1088/1361-648X/ad1e9f

On De Gennes narrowing of fluids confined at the molecular scale in nanoporous materials

Wanda Kellouai, Jean-Louis Barrat, Patrick Judeinstein, Marie Plazanet and Benoit Coasne
The Journal of Chemical Physics 160 (2) (2024)
https://doi.org/10.1063/5.0186956

Effect of A-site cation ordering on oxygen diffusion in NdBa2Fe3O8 through molecular dynamics

Milad Moazzam, Chenyi Li, Giulio Cordaro and Guilhem Dezanneau
Journal of Solid State Chemistry 325 124148 (2023)
https://doi.org/10.1016/j.jssc.2023.124148

Simple and efficient algorithms based on Volterra equations to compute memory kernels and projected cross-correlation functions from molecular dynamics

Amaël Obliger
The Journal of Chemical Physics 158 (14) (2023)
https://doi.org/10.1063/5.0143707

Effect of speed fluctuations on the collective dynamics of active disks

R. Kailasham and Aditya S. Khair
Soft Matter 19 (40) 7764 (2023)
https://doi.org/10.1039/D3SM00665D

On the role of history-dependent adsorbate distribution and metastable states in switchable mesoporous metal-organic frameworks

Francesco Walenszus, Volodymyr Bon, Jack D. Evans, et al.
Nature Communications 14 (1) (2023)
https://doi.org/10.1038/s41467-023-38737-6

Model for Humidity-Mediated Diffusion on Aluminum Surfaces and Its Role in Accelerating Atmospheric Aluminum Corrosion

Jeremy A. Scher, Stephen E. Weitzner, Yue Hao, et al.
ACS Applied Materials & Interfaces 15 (23) 28716 (2023)
https://doi.org/10.1021/acsami.3c02327

Comparison of Force Fields for the Prediction of Thermophysical Properties of Long Linear and Branched Alkanes

Sebastian Schmitt, Florian Fleckenstein, Hans Hasse and Simon Stephan
The Journal of Physical Chemistry B 127 (8) 1789 (2023)
https://doi.org/10.1021/acs.jpcb.2c07997

mdapy: A flexible and efficient analysis software for molecular dynamics simulations

Yong-Chao Wu and Jian-Li Shao
Computer Physics Communications 290 108764 (2023)
https://doi.org/10.1016/j.cpc.2023.108764

Nonequilibrium structure formation in electrohydrodynamic emulsions

Jeremy I. Kach, Lynn M. Walker and Aditya S. Khair
Soft Matter 19 (47) 9179 (2023)
https://doi.org/10.1039/D3SM01110K

Structure and dynamics of acetonitrile: Molecular simulation and neutron scattering

Samuel R. Cohen, Marie Plazanet, Stéphane Rols, et al.
Journal of Molecular Liquids 348 118423 (2022)
https://doi.org/10.1016/j.molliq.2021.118423

Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML

Matthias Gültig, Jan P. Range, Benjamin Schmitz and Jürgen Pleiss
Journal of Chemical & Engineering Data 67 (11) 3340 (2022)
https://doi.org/10.1021/acs.jced.2c00391

Revisiting the modeling of quasielastic neutron scattering from bulk water

Martin H. Petersen, Mark T. F. Telling, Gerald Kneller, et al.
EPJ Web of Conferences 272 01012 (2022)
https://doi.org/10.1051/epjconf/202227201012

The effect of explicit counterion binding on the transference number of polyelectrolyte solutions

T. K. Lytle and A. Yethiraj
The Journal of Chemical Physics 156 (10) (2022)
https://doi.org/10.1063/5.0083414

A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium–The Role of Grain Boundaries

Chidozie Onwudinanti, Mike Pols, Geert Brocks, et al.
The Journal of Physical Chemistry C 126 (13) 5950 (2022)
https://doi.org/10.1021/acs.jpcc.1c08776

Understanding Structural and Transport Properties of Dissolved Li2S8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations

Tianyuan Hu, Yanlei Wang, Feng Huo, Hongyan He and Suojiang Zhang
ChemPhysChem 22 (4) 419 (2021)
https://doi.org/10.1002/cphc.202000555

Different Water Networks Confined in Unidirectional Hydrophilic Nanopores and Transitions with Temperature

Frederico G. Alabarse, Benoît Baptiste, Mónica Jiménez-Ruiz, et al.
The Journal of Physical Chemistry C 125 (26) 14378 (2021)
https://doi.org/10.1021/acs.jpcc.1c01254

Dynamics and stress relaxation of bidisperse polymer melts with unentangled and moderately entangled chains

Oluseye Adeyemi, Shiping Zhu and Li Xi
Physics of Fluids 33 (6) (2021)
https://doi.org/10.1063/5.0053790

Phonons and oxygen diffusion in Bi2O3 and (Bi0.7Y0.3)2O3

Prabhatasree Goel, M K Gupta, R Mittal, et al.
Journal of Physics: Condensed Matter 32 (33) 334002 (2020)
https://doi.org/10.1088/1361-648X/ab88f8

Transferable Anisotropic United-Atom Mie (TAMie) Force Field: Transport Properties from Equilibrium Molecular Dynamic Simulations

Matthias Fischer, Gernot Bauer and Joachim Gross
Industrial & Engineering Chemistry Research 59 (18) 8855 (2020)
https://doi.org/10.1021/acs.iecr.0c00848

Force Fields with Fixed Bond Lengths and with Flexible Bond Lengths: Comparing Static and Dynamic Fluid Properties

Matthias Fischer, Gernot Bauer and Joachim Gross
Journal of Chemical & Engineering Data 65 (4) 1583 (2020)
https://doi.org/10.1021/acs.jced.9b01031

freud: A software suite for high throughput analysis of particle simulation data

Vyas Ramasubramani, Bradley D. Dice, Eric S. Harper, et al.
Computer Physics Communications 254 107275 (2020)
https://doi.org/10.1016/j.cpc.2020.107275

TRAVIS—A free analyzer for trajectories from molecular simulation

M. Brehm, M. Thomas, S. Gehrke and B. Kirchner
The Journal of Chemical Physics 152 (16) (2020)
https://doi.org/10.1063/5.0005078

Evidence of Hydronium Formation in Water–Chabazite Zeolite Using Inelastic Neutron Scattering Experiments and ab Initio Molecular Dynamics Simulations

M. Jiménez-Ruiz, D. S. Gahle, T. Lemishko, et al.
The Journal of Physical Chemistry C 124 (9) 5436 (2020)
https://doi.org/10.1021/acs.jpcc.9b11081

Simulations of structure formation by confined dipolar active particles

Vitali Telezki and Stefan Klumpp
Soft Matter 16 (46) 10537 (2020)
https://doi.org/10.1039/D0SM00926A

Thermophysical properties of glyceline–water mixtures investigated by molecular modelling

Jörg Baz, Christoph Held, Jürgen Pleiss and Niels Hansen
Physical Chemistry Chemical Physics 21 (12) 6467 (2019)
https://doi.org/10.1039/C9CP00036D

Cancer cells in the tumor core exhibit spatially coordinated migration patterns

Ralitza Staneva, Fatima El Marjou, Jorge Barbazan, et al.
Journal of Cell Science (2019)
https://doi.org/10.1242/jcs.220277

Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations

Martin Vögele, Jürgen Köfinger and Gerhard Hummer
The Journal of Physical Chemistry B 123 (24) 5099 (2019)
https://doi.org/10.1021/acs.jpcb.9b01656

Michela Taufer, Stephen Thomas, Michael Wyatt, Tu Mai Anh Do, Loic Pottier, Rafael Ferreira da Silva, Harel Weinstein, Michel A. Cuendet, Trilce Estrada and Ewa Deelman
188 (2019)
https://doi.org/10.1109/eScience.2019.00027

Combination of Inelastic Neutron Scattering Experiments and ab Initio Quantum Calculations for the Study of the Hydration Properties of Oriented Saponites

M. Jiménez-Ruiz, E. Ferrage, M. Blanchard, et al.
The Journal of Physical Chemistry C 121 (9) 5029 (2017)
https://doi.org/10.1021/acs.jpcc.6b11836

Divergent Diffusion Coefficients in Simulations of Fluids and Lipid Membranes

Martin Vögele and Gerhard Hummer
The Journal of Physical Chemistry B 120 (33) 8722 (2016)
https://doi.org/10.1021/acs.jpcb.6b05102

Vibrational properties of vacancy in Au using modified embedded atom method potentials

P.N. Ram, Vandana Gairola and P.D. Semalty
Journal of Physics and Chemistry of Solids 94 41 (2016)
https://doi.org/10.1016/j.jpcs.2016.03.001

Multiple Scale Dynamics in Proteins Probed at Multiple Time Scales through Fluctuations of NMR Chemical Shifts

Paolo Calligari and Daniel Abergel
The Journal of Physical Chemistry B 118 (14) 3823 (2014)
https://doi.org/10.1021/jp412125d

Toward the Characterization of Fractional Stochastic Processes Underlying Methyl Dynamics in Proteins

Paolo Calligari and Daniel Abergel
The Journal of Physical Chemistry B 116 (43) 12955 (2012)
https://doi.org/10.1021/jp307050v