Adiabatic limit collapse and local interaction effects in non-linear active microrheology molecular simulations of two-dimensional fluids

J. Munguía-Valadez, A. Ledesma-Durán, J. A. Moreno-Razo and I. Santamaría-Holek

Soft Matter, 2023, 19, 5288
DOI: 10.1039/D3SM00358B

Enhanced fluidity of water in superhydrophobic nanotubes: estimating viscosity using jump-corrected confined Stokes–Einstein approach

Golam Rosul Khan and Snehasis Daschakraborty

Phys. Chem. Chem. Phys., 2024, 26, 4492
DOI: 10.1039/D3CP05906E

Relaxation and diffusion of an ionic plasticizer in amorphous poly(vinylpyrrolidone)

Lara Röwekamp, Kevin Moch, Merve Seren, Philipp Münzner, Roland Böhmer and Catalin Gainaru

Phys. Chem. Chem. Phys., 2024, 26, 13219
DOI: 10.1039/D4CP01001A

Anomalous lateral diffusion of lipids during the fluid/gel phase transition of a lipid membrane

Abhay Kumar and Snehasis Daschakraborty

Phys. Chem. Chem. Phys., 2023, 25, 31431
DOI: 10.1039/D3CP04081J

Non-monotonic composition dependence of the breakdown of Stokes–Einstein relation for water in aqueous solutions of ethanol and 1-propanol: explanation using translational jump-diffusion approach

Shivam Dueby, Vikas Dubey, Sandipa Indra and Snehasis Daschakraborty

Phys. Chem. Chem. Phys., 2022, 24, 18738
DOI: 10.1039/D2CP02664C

What Are the Essential Water Molecules in Regulating Lipid Membrane Fluidity?

Abhay Kumar and Snehasis Daschakraborty

J. Phys. Chem. B, 2025, 129, 5998
DOI: 10.1021/acs.jpcb.5c02234

Into the toxicity potential of an array of parabens by biomimetic liquid chromatography, cell viability assessments and in silico predictions

Ilaria Neri, Janis MacCallum, Ritamaria Di Lorenzo, Giacomo Russo, Frédéric Lynen and Lucia Grumetto

Science of The Total Environment, 2024, 917, 170461
DOI: 10.1016/j.scitotenv.2024.170461

An efficient Wasserstein-distance approach for reconstructing jump-diffusion processes using parameterized neural networks

Mingtao Xia, Xiangting Li, Qijing Shen and Tom Chou

Mach. Learn.: Sci. Technol., 2024, 5, 045052
DOI: 10.1088/2632-2153/ad9379

Stokes–Einstein Relation in Different Models of Water

Sergey Khrapak and Alexey Khrapak

Molecules, 2024, 29, 5587
DOI: 10.3390/molecules29235587

Investigating the structure, dynamics, and phase behaviour of polycyclic aromatic hydrocarbons derived from coal tar pitch: (I) temperature dependence

Kaushik Sen, Archita Maiti, Chandrachur Banerjee, Pratik S. Dash and Snehasis Daschakraborty

Journal of Molecular Liquids, 2024, 408, 125307
DOI: 10.1016/j.molliq.2024.125307

Difference in “Supercooling” Affinity between (Acetamide + Na/KSCN) Deep Eutectics: Reflections in the Simulated Anomalous Motions of the Constituents and Solution Microheterogeneity Features

Swarup Banerjee, Pradip Kr. Ghorai, Dhrubajyoti Maji and Ranjit Biswas

J. Phys. Chem. B, 2022, 126, 10146
DOI: 10.1021/acs.jpcb.2c04994

Comparing Microscopic and Macroscopic Dynamics in a Paradigmatic Model of Glass-Forming Molecular Liquid

Giuseppe Porpora, Francesco Rusciano, Raffaele Pastore and Francesco Greco

IJMS, 2022, 23, 3556
DOI: 10.3390/ijms23073556

Structural Origin of Translational Jumps and Allied Dynamical Anomalies in Supercooled Water

Venkatesh Nagaraj and Snehasis Daschakraborty

J. Phys. Chem. B, 2026, 130, 2217
DOI: 10.1021/acs.jpcb.5c07141

Size dependence of solute’s translational jump-diffusion in solvent: Relationship between trapping and jump-diffusion

Shivam Dueby and Snehasis Daschakraborty

Chemical Physics Letters, 2022, 806, 140059
DOI: 10.1016/j.cplett.2022.140059

Thermodynamic response functions and Stokes-Einstein breakdown in superheated water under gigapascal pressure

Shivam Dueby, Archita Maiti, Vikas Dubey, Nuno Galamba and Snehasis Daschakraborty

Theor Chem Acc, 2023, 142
DOI: 10.1007/s00214-023-02991-0

Faster Diffusion of Water along Carbon Nanotubes near the Wall

Golam Rosul Khan, Shinji Saito and Snehasis Daschakraborty

J. Phys. Chem. B, 2025, 129, 6561
DOI: 10.1021/acs.jpcb.5c02233

Super-Arrhenius dynamic slowdown revealed by slow variable modulation in the fragile supercooled liquid

Zhiye Tang, Shubham Kumar and Shinji Saito

The Journal of Chemical Physics, 2026, 164
DOI: 10.1063/5.0319642

Viscoelasticity, yield stress, and diffusivity in jammed monodisperse emulsions: effects of droplet size

Hsin-Yu Chang, Ssu-Kai Li, Heng-Kwong Tsao and Yu-Jane Sheng

Journal of Molecular Liquids, 2025, 435, 128112
DOI: 10.1016/j.molliq.2025.128112

Jump-corrected confined Stokes–Einstein relation: An approach for simulating the viscosity of water inside a nanochannel

Golam Rosul Khan and Snehasis Daschakraborty

J Chem Sci, 2025, 137
DOI: 10.1007/s12039-025-02438-y

Role of Exchange Cations and Layer Charge on the Dynamics of Confined Water

Hua Li, Yin-Hao Zheng, Will P. Gates, F. J. Villacorta, Seiko Ohira-Kawamura, Yukinobu Kawakita, Kazutaka Ikeda and Heloisa N. Bordallo

J. Phys. Chem. A, 2024, 128, 261
DOI: 10.1021/acs.jpca.3c05649

Dynamics of a methane hydrophobe in aqueous choline chloride solution: Insights from molecular dynamics simulations

Pooja Nanavare, Ligesh Theeyancheri, Soham Sarkar and Rajarshi Chakrabarti

Chemical Physics Impact, 2023, 6, 100223
DOI: 10.1016/j.chphi.2023.100223

Decoupling of water and ion dynamics in nanophase-segrated mixtures of an ionic liquid and water studied by NMR experiments and MD simulations

Elisa Steinrücken, Sebastian Kloth and Michael Vogel

J. Phys. D: Appl. Phys., 2025, 58, 295302
DOI: 10.1088/1361-6463/adeabb

What Is the Viscosity of Liquid Water Confined in a Hydrophobic Nanotube? Estimation Using a Novel Approach

Golam Rosul Khan and Snehasis Daschakraborty

J. Phys. Chem. C, 2023, 127, 7027
DOI: 10.1021/acs.jpcc.3c01689

A review on supercooled water-ice phase transition within the cathode catalyst layer of proton exchange membrane fuel cells during cold-start

Dong Huang, Ye-Di Zhang and Shi-Yu Shan

Electrochimica Acta, 2026, 545, 147706
DOI: 10.1016/j.electacta.2025.147706

Fickian Yet Non-Gaussian Nanoscopic Lipid Diffusion in the Raft-Mimetic Membrane

Shakkira Erimban and Snehasis Daschakraborty

J. Phys. Chem. B, 2023, 127, 4939
DOI: 10.1021/acs.jpcb.3c00019

Viscosity decoupling does not guarantee dynamic heterogeneity: A way out

Nilimesh Das, Navin Subba and Pratik Sen

Journal of Photochemistry and Photobiology A: Chemistry, 2023, 436, 114361
DOI: 10.1016/j.jphotochem.2022.114361

Exploration of Stokes hydrodynamic law at molecular length scales

Subhajit Acharya and Biman Bagchi

The Journal of Chemical Physics, 2024, 160
DOI: 10.1063/5.0203441

Laterally Heterogeneous Structure and Dynamics of Water and Ion inside a Nanochannel of a Covalent Organic Framework Membrane Designed for Osmotic Energy Conversion

Golam Rosul Khan and Snehasis Daschakraborty

J. Phys. Chem. C, 2024, 128, 17928
DOI: 10.1021/acs.jpcc.4c03253

Translational Jump-Diffusion of Hydroxide Ion in Anion Exchange Membrane: Deciphering the Nature of Vehicular Diffusion

Vikas Dubey and Snehasis Daschakraborty

J. Phys. Chem. B, 2022, 126, 2430
DOI: 10.1021/acs.jpcb.2c00240

Breakdown of the Stokes–Einstein relation in Stillinger–Weber silicon

Himani Rautela, Shiladitya Sengupta and Vishwas V. Vasisht

The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0256328