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Ying Sun, Dan Zhang, Ayesha Bashir, Chuncheng Li & Zhaochuan Fan. (2023) Scaling Solute–Solvent Distances to Improve Solubility and Ion Paring Predictions in Rigid Ion Models. The Journal of Physical Chemistry B 127:44, pages 9575-9586.
Crossref
Crossref
Langzhun Ze, F. Al-dolaimy, S. Mohammad Sajadi, Maytham T. Qasim, Ahmed Hussien Alawadi, Reza Balali Dehkordi, Ali Alsalamy, Roozbeh Sabetvand & Maboud Hekmatifar. (2023) The effect of number of nanoparticles on atomic behavior and aggregation of CuO/water nanofluid flow in microchannels using molecular dynamics simulation. Engineering Science and Technology, an International Journal 47, pages 101556.
Crossref
Crossref
S. Samaneh Sadeghi, Amin Hadi & Mahmoud Mosavi Mashhadi. (2023) Viscosity of Fe2O3-water nanofluids by molecular dynamics simulations: Effects of nanoparticle content, temperature and size. Journal of Molecular Liquids 382, pages 121859.
Crossref
Crossref
Pouria Nourian & Andrew J. Peters. (2023) Implementation of probe rheology simulation technique in atomistically detailed molecular dynamics simulations. Journal of Computational Chemistry 44:16, pages 1484-1492.
Crossref
Crossref
Chenxia Xie & Hui Li. (2023) Multiscale simulations of nanofluidics: Recent progress and perspective. WIREs Computational Molecular Science.
Crossref
Crossref
Kavya Mrudula Tadepalli, Suman Chakrabarty, Pramod Patil & Rajnish Kumar. (2023)
Design of CO
2
Thickeners and Role of Aromatic Rings in Enhanced Oil Recovery Using Molecular Dynamics
. Langmuir.
Crossref
Crossref
HONGQING SONG, JUNMING LAO, HONGEN YANG, CHIYU XIE & JIULONG WANG. (2023) MULTIFRACTAL MODELING OF GAS–WATER RELATIVE PERMEABILITY CONSIDERING MULTISCALE AND MULTIEFFECTS: INVESTIGATION OF UNCONVENTIONAL GAS DEVELOPMENT. Fractals 31:08.
Crossref
Crossref
René Hafner, Gabriela Guevara-Carrion, Jadran Vrabec & Peter Klein. (2022) Sampling the Bulk Viscosity of Water with Molecular Dynamics Simulation in the Canonical Ensemble. The Journal of Physical Chemistry B 126:48, pages 10172-10184.
Crossref
Crossref
Petra Papež & Matej Praprotnik. (2022) Dissipative Particle Dynamics Simulation of Ultrasound Propagation through Liquid Water. Journal of Chemical Theory and Computation 18:2, pages 1227-1240.
Crossref
Crossref
Madhavi Dahanayaka & Jia Wei Chew. (2022) Organic Solvent Permeation through Negatively Charged Graphene Oxide Membranes. ACS Sustainable Chemistry & Engineering 10:4, pages 1499-1508.
Crossref
Crossref
Jan Philipp Bittner, Lei Huang, Ningning Zhang, Selin Kara & Sven Jakobtorweihen. (2021) Comparison and Validation of Force Fields for Deep Eutectic Solvents in Combination with Water and Alcohol Dehydrogenase. Journal of Chemical Theory and Computation 17:8, pages 5322-5341.
Crossref
Crossref
Ching H. Wu, Chi C. Hua & Chun I. Wang. (2021) Effects of solvation shell relaxation on chain association mechanisms in poly(3-hexylthiophene) solutions. Physical Chemistry Chemical Physics 23:20, pages 12005-12014.
Crossref
Crossref
Majid Rezaei, Bernhard G. Mitterwallner, Philip Loche, Yuki Uematsu, Roland R. Netz & Douwe Jan Bonthuis. (2021) Interfacial, Electroviscous, and Nonlinear Dielectric Effects on Electrokinetics at Highly Charged Surfaces. The Journal of Physical Chemistry B 125:18, pages 4767-4778.
Crossref
Crossref
Yitian Gao, Hongwei Fang & Ke Ni. (2021) A hierarchical clustering method of hydrogen bond networks in liquid water undergoing shear flow. Scientific Reports 11:1.
Crossref
Crossref
J-C. Fernández-Toledano, T.D. Blake & J. De Coninck. (2021) Taking a closer look: A molecular-dynamics investigation of microscopic and apparent dynamic contact angles. Journal of Colloid and Interface Science 587, pages 311-323.
Crossref
Crossref
Yingzhe Du, Yangwen Zhu, Yanfeng Ji, Hui Xu, Heng Zhang & Shiling Yuan. (2021) Effect of salt-resistant monomers on viscosity of modified polymers based on the hydrolyzed poly-acrylamide (HPAM): A molecular dynamics study. Journal of Molecular Liquids 325, pages 115161.
Crossref
Crossref
Wei Qiang Chen, Majid Sedighi & Andrey P. Jivkov. (2021) Thermo-osmosis in hydrophilic nanochannels: mechanism and size effect. Nanoscale 13:3, pages 1696-1716.
Crossref
Crossref
Yurema Teijeiro-Gonzalez, Alessandro Crnjar, Andrew J. Beavil, Rebecca L. Beavil, Jakub Nedbal, Alix Le Marois, Carla Molteni & Klaus Suhling. (2021) Time-Resolved Fluorescence Anisotropy and Molecular Dynamics Analysis of a Novel GFP Homo-FRET Dimer. Biophysical Journal 120:2, pages 254-269.
Crossref
Crossref
Myung Eun Suk. (2020) Single-File Water Flux Through Two-Dimensional Nanoporous Membranes. Nanoscale Research Letters 15:1.
Crossref
Crossref
K. Rama Swami, K.A. Venkatesan, Pooja Sahu & Sk. Musharaf Ali. (2020) The effect of alkyl chain length attached to the diglycolamide and n-paraffin on the aggregation behaviour of diglycolamide and MD simulation of aggregates. Journal of Molecular Structure 1221, pages 128795.
Crossref
Crossref
E. Sneha, Amjesh Revikumar, Jaykumar Y. singh, Ananthan D. Thampi & S. Rani. (2020) Viscosity prediction of Pongamia pinnata (Karanja) oil by molecular dynamics simulation using GAFF and OPLS force field. Journal of Molecular Graphics and Modelling 101, pages 107764.
Crossref
Crossref
Shiyuan Zhan, Yuliang Su, Zhehui Jin, Wendong Wang, Mingyu Cai, Lei Li & Yongmao Hao. (2020) Molecular insight into the boundary conditions of water flow in clay nanopores. Journal of Molecular Liquids 311, pages 113292.
Crossref
Crossref
Kang Jin Cho, Suji Gim, Hyung-Kyu Lim, Changho Kim & Hyungjun Kim. (2020) Water Slippage on Graphitic and Metallic Surfaces: Impact of the Surface Packing Structure and Electron Density Tail. The Journal of Physical Chemistry C 124:21, pages 11392-11400.
Crossref
Crossref
Arya Das & Sk. Musharaf Ali. (2020) Unusual behavior of Stokes–Einstein relation in liquid mixtures. AIP Advances 10:4.
Crossref
Crossref
Michael Thomas & Ben Corry. (2020) Modifying Water Flow, Ion Selectivity, and Salt Rejection in Carbon Nanotubes via Surface Adsorption. The Journal of Physical Chemistry C 124:6, pages 3820-3826.
Crossref
Crossref
Alper Tunga Celebi, Chinh Thanh Nguyen, Remco Hartkamp & Ali Beskok. (2019) The role of water models on the prediction of slip length of water in graphene nanochannels. The Journal of Chemical Physics 151:17.
Crossref
Crossref
Nádia M. Figueiredo, Iuliia V. Voroshylova, Volodymyr A. Koverga, Elisabete S.C. Ferreira & M. Natália D.S. Cordeiro. (2019) Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study. Journal of Molecular Liquids 294, pages 111538.
Crossref
Crossref
Sakiru B. BadmosTai BuiAlberto Striolo & David R. Cole. (2019)
Factors Governing the Enhancement of Hydrocarbon Recovery via H
2
S and/or CO
2
Injection: Insights from a Molecular Dynamics Study in Dry Nanopores
. The Journal of Physical Chemistry C 123:39, pages 23907-23918.
Crossref
Crossref
Arya Das & Sk. Musharaf Ali. (2019) Molecular Dynamics Simulation Studies on Structure, Dynamics, and Thermodynamics of Uranyl Nitrate Solution at Various Acid Concentrations. The Journal of Physical Chemistry B 123:21, pages 4571-4586.
Crossref
Crossref
Antonino Polimeno, Mirco Zerbetto & Daniel Abergel. (2019) Stochastic modeling of macromolecules in solution. II. Spectral densities. The Journal of Chemical Physics 150:18.
Crossref
Crossref
Joel Sánchez-Badillo, Marco Gallo, Ricardo A. Guirado-López & Jorge López-Lemus. (2019)
Thermodynamic, structural and dynamic properties of ionic liquids [C
4
mim][CF
3
COO], [C
4
mim][Br] in the condensed phase, using molecular simulations
. RSC Advances 9:24, pages 13677-13695.
Crossref
Crossref
Arya Das & Sk. Musharaf Ali. (2019) Understanding of interfacial tension and interface thickness of liquid/liquid interface at a finite concentration of alkyl phosphate by molecular dynamics simulation. Journal of Molecular Liquids 277, pages 217-232.
Crossref
Crossref
Yuying Wang, Zhen Li, Junbo Xu, Chao Yang & George Em Karniadakis. (2019) Concurrent coupling of atomistic simulation and mesoscopic hydrodynamics for flows over soft multi-functional surfaces. Soft Matter 15:8, pages 1747-1757.
Crossref
Crossref
Hongwei Fang, Ke Ni, Jian Wu, Jun Li, Lei Huang & Danny Reible. (2019) The effects of hydrogen bonding on the shear viscosity of liquid water. International Journal of Sediment Research 34:1, pages 8-13.
Crossref
Crossref
Seyed Hossein Jamali, Thijs van Westen, Othonas A. Moultos & Thijs J. H. Vlugt. (2018) Optimizing Nonbonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics. Journal of Chemical Theory and Computation 14:12, pages 6690-6700.
Crossref
Crossref
Kang-Sahn Kim, Myung Hoon Han, Changho Kim, Zhen Li, George Em Karniadakis & Eok Kyun Lee. (2018) Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids. The Journal of Chemical Physics 149:4.
Crossref
Crossref
Haiyang Zhang, Chunhua Yin, Yang Jiang & David van der Spoel. (2018) Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models. Journal of Chemical Information and Modeling 58:5, pages 1037-1052.
Crossref
Crossref
Alessio D. Lavino, Luca Banetta, Paola Carbone & Daniele L. Marchisio. (2018) Extended Charge-On-Particle Optimized Potentials for Liquid Simulation Acetone Model: The Case of Acetone–Water Mixtures. The Journal of Physical Chemistry B 122:20, pages 5234-5241.
Crossref
Crossref
Seyed Hossein Jamali, Ludger Wolff, Tim M. Becker, André Bardow, Thijs J. H. Vlugt & Othonas A. Moultos. (2018) Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics. Journal of Chemical Theory and Computation 14:5, pages 2667-2677.
Crossref
Crossref
Ian M. Chrisman, Michelle D. Nemetchek, Ian Mitchelle S. de Vera, Jinsai Shang, Zahra Heidari, Yanan Long, Hermes Reyes-Caballero, Rodrigo Galindo-Murillo, Thomas E. CheathamIIIIII, Anne-Laure Blayo, Youseung Shin, Jakob Fuhrmann, Patrick R. Griffin, Theodore M. Kamenecka, Douglas J. Kojetin & Travis S. Hughes. (2018) Defining a conformational ensemble that directs activation of PPARγ. Nature Communications 9:1.
Crossref
Crossref
Hong Peng & Mahshid Firouzi. (2018) Evaluation of interfacial properties of concentrated KCl solutions by molecular dynamics simulation. Colloids and Surfaces A: Physicochemical and Engineering Aspects 538, pages 703-710.
Crossref
Crossref
Alexander Schlaich, Julian Kappler & Roland R. Netz. (2017) Hydration Friction in Nanoconfinement: From Bulk via Interfacial to Dry Friction. Nano Letters 17:10, pages 5969-5976.
Crossref
Crossref
Diyuan Zong, Zhen Yang & Yuanyuan Duan. (2017) Wetting kinetics of nanodroplets on lyophilic nanopillar-arrayed surfaces: A molecular dynamics study. Chemical Physics Letters 685, pages 27-33.
Crossref
Crossref
Vladimir S. Farafonov & Alexander V. Lebed. (2017) Developing and Validating a Set of All-Atom Potential Models for Sodium Dodecyl Sulfate. Journal of Chemical Theory and Computation 13:6, pages 2742-2750.
Crossref
Crossref
N Galamba. (2017) On the hydrogen-bond network and the non-Arrhenius transport properties of water. Journal of Physics: Condensed Matter 29:1, pages 015101.
Crossref
Crossref
Dong Ruo-Yu, Cao Peng, Cao Gui-Xing, Hu Guo-Jie & Cao Bing-Yang. (2017) DC electric field induced orientation of a graphene in water. Acta Physica Sinica 66:1, pages 014702.
Crossref
Crossref
Takumi Ono, Kyouhei Horikawa, Yuki Maeda, Masaki Ota, Yoshiyuki Sato & Hiroshi Inomata. (2016) Dynamic properties of methanol–water mixtures at the temperatures up to 476.2 K and at high pressures via molecular dynamics simulation. Fluid Phase Equilibria 420, pages 30-35.
Crossref
Crossref
Marta L. S. Batista, Germán Pérez-Sánchez, José R. B. Gomes, João A. P. Coutinho & Edward J. Maginn. (2015)
Evaluation of the GROMOS 56A
CARBO
Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems
. The Journal of Physical Chemistry B 119:49, pages 15310-15319.
Crossref
Crossref
Kyohei Yamashita & Hirofumi Daiguji. (2015) Molecular Dynamics Simulations of Water Uptake into a Silica Nanopore. The Journal of Physical Chemistry C 119:6, pages 3012-3023.
Crossref
Crossref
A Popadić, J H Walther, P Koumoutsakos & M Praprotnik. (2014) Continuum simulations of water flow in carbon nanotube membranes. New Journal of Physics 16:8, pages 082001.
Crossref
Crossref
Panagiotis Angelikopoulos, Costas Papadimitriou & Petros Koumoutsakos. (2012) Bayesian uncertainty quantification and propagation in molecular dynamics simulations: A high performance computing framework. The Journal of Chemical Physics 137:14.
Crossref
Crossref
Gabriele Raabe & Richard J. Sadus. (2012) Molecular dynamics simulation of the effect of bond flexibility on the transport properties of water. The Journal of Chemical Physics 137:10.
Crossref
Crossref
A. P. Markesteijn, Remco Hartkamp, S. Luding & J. Westerweel. (2012) A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel. The Journal of Chemical Physics 136:13.
Crossref
Crossref
Jens H. Walther, Matej Praprotnik, Evangelos M. Kotsalis & Petros Koumoutsakos. (2012) Multiscale simulation of water flow past a C540 fullerene. Journal of Computational Physics 231:7, pages 2677-2681.
Crossref
Crossref