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Physical Chemistry Chemical Physics : PCCP|February 1, 2023
A review of recent advances and applications of machine learning in tribologyAbhishek T Sose, Soumil Y Joshi, Lakshmi Kumar Kunche, et al.Science (New York, N.Y.)|May 16, 2015
Friction. Macroscale superlubricity enabled by graphene nanoscroll formationDiana Berman, Sanket A Deshmukh, Subramanian K R S Sankaranarayanan, et al.The Journal of Physical Chemistry. B|April 1, 2026
Atomistic Insights into Conformations and Solvation Dynamics of Amylose, Dextran, and Pullulan Using Three Force FieldsParisa Farzeen, Hu Young Yoon, Isabela Trindade Coutinho, et al.Journal of Chemical Theory and Computation|December 5, 2025
Development and Bayesian Uncertainty Quantification of Coarse-Grained Models of Metals Based on Embedded Atom Method PotentialsAbhishek T Sose, Troy Gustke, Karteek K Bejagam, et al.Nature Communications|August 25, 2016
Water ordering controls the dynamic equilibrium of micelle-fibre formation in self-assembly of peptide amphiphilesSanket A Deshmukh, Lee A Solomon, Ganesh Kamath, et al.Soft Matter|March 22, 2014
Non-equilibrium effects evidenced by vibrational spectra during the coil-to-globule transition in poly(N-isopropylacrylamide) subjected to an ultrafast heating-cooling cycleSanket A Deshmukh, Ganesh Kamath, Kamlesh J Suthar, et al.Physical Chemistry Chemical Physics : PCCP|June 25, 2013
Thermodynamic considerations for solubility and conformational transitions of poly-N-isopropyl-acrylamideGanesh Kamath, Sanket A Deshmukh, Gary A Baker, et al.Journal of Chemical Information and Modeling|April 28, 2026
Martini Mapper: An Automated Fragment-Based Mapping Algorithm for Developing Coarse-Grained Models within the Martini 3 FrameworkKevin V Bigting, Shubhadeep Nag, Yaxin AnJournal of Chemical Theory and Computation|June 26, 2024
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force FieldsAbhishek T Sose, Troy Gustke, Fangxi Wang, et al.ACS Central Science|September 29, 2025
Stereochemistry Drives the Macromolecular Conformation and Biological Activity of GlycopolymersMuhammad Waqas Ishaq, Parisa Farzeen, Lindsay R Vaughn, et al.Pageof 7