Charge environment and hydrogen bond dynamics in binary ionic liquid mixtures: A computational study NVS Avula, A Mondal, S Balasubramanian The Journal of Physical Chemistry Letters 9 (12), 3511-3516, 2018 | 15 | 2018 |
Efficient parametrization of force field for the quantitative prediction of the physical properties of ionic liquid electrolytes NVS Avula, A Karmakar, R Kumar, S Balasubramanian Journal of Chemical Theory and Computation 17 (7), 4274-4290, 2021 | 14 | 2021 |
Refined force field for liquid sulfolane with particular emphasis to its transport characteristics S Mukherji, NVS Avula, S Balasubramanian ACS omega 5 (43), 28285-28295, 2020 | 13 | 2020 |
Hopping in high concentration electrolytes-long time bulk and single-particle signatures, free energy barriers, and structural insights S Mukherji, NVS Avula, R Kumar, S Balasubramanian The journal of physical chemistry letters 11 (22), 9613-9620, 2020 | 12 | 2020 |
Insights into the stabilization of fluoride ions in ionic liquids: Pointers to better fluorinating agents A Gaur, NVS Avula, S Balasubramanian The Journal of Physical Chemistry B 124 (40), 8844-8856, 2020 | 6 | 2020 |
Building robust machine learning models for small chemical science data: the case of shear viscosity of fluids NVS Avula, SK Veesam, S Behera, S Balasubramanian Machine Learning: Science and Technology 3 (4), 045032, 2022 | 4 | 2022 |
Understanding the anomalous diffusion of water in aqueous electrolytes using machine learned potentials NVS Avula, ML Klein, S Balasubramanian The Journal of Physical Chemistry Letters 14 (42), 9500-9507, 2023 | 2 | 2023 |
Building Robust Machine Learning Models for Small Chemical Science Data: The Case of Shear Viscosity NVS Avula, SK Veesam, S Behera, S Balasubramanian arXiv preprint arXiv:2208.10784, 2022 | | 2022 |
Modelling room temperature ionic liquids: charge environment, hydrogen bond dynamics and related phenomena AVS Nikhil Jawaharlal Nehru Centre for Advanced Scientific Research, 2019 | | 2019 |