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ACS Omega
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November 9, 2020
Refined Force Field for Liquid Sulfolane with Particular Emphasis to Its Transport Characteristics
Srimayee Mukherji, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Chemical Physics
|
January 24, 2025
Slowly quenched, high pressure glassy B2O3 at DFT accuracy
Debendra Meher, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Chemical Physics
|
March 25, 2026
On the boroxol ring fraction in melt-quenched B2O3 glass: Insights from machine learning potentials
Debendra Meher, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Physical Chemistry Letters
|
June 9, 2018
Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study
Nikhil V S Avula, Anirban Mondal, Sundaram Balasubramanian
The Journal of Physical Chemistry. B
|
June 10, 2026
Hydration Environment of Complexes and Their Dynamics in Aqueous Zinc Chloride Solutions
Disha Brahma, Nikhil V S Avula, Sundaram Balasubramanian
Journal of Chemical Theory and Computation
|
August 7, 2025
Decoding Temperature-Dependent Conformer Populations and Dipole Moments in Liquid Ethylene Glycol with Classical and Machine-Learned Potentials
Anjali Gaur, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Physical Chemistry. B
|
September 15, 2020
Insights into the Stabilization of Fluoride Ions in Ionic Liquids: Pointers to Better Fluorinating Agents
Anjali Gaur, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Physical Chemistry Letters
|
October 18, 2023
Understanding the Anomalous Diffusion of Water in Aqueous Electrolytes Using Machine Learned Potentials
Nikhil V S Avula, Michael L Klein, Sundaram Balasubramanian
Journal of Chemical Theory and Computation
|
June 7, 2021
Efficient Parametrization of Force Field for the Quantitative Prediction of the Physical Properties of Ionic Liquid Electrolytes
Nikhil V S Avula, Anwesa Karmakar, Rahul Kumar, et al.
The Journal of Physical Chemistry Letters
|
October 30, 2020
Hopping in High Concentration Electrolytes - Long Time Bulk and Single-Particle Signatures, Free Energy Barriers, and Structural Insights
Srimayee Mukherji, Nikhil V S Avula, Rahul Kumar, et al.
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
ACS Omega
|
November 9, 2020
Refined Force Field for Liquid Sulfolane with Particular Emphasis to Its Transport Characteristics
Srimayee Mukherji, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Chemical Physics
|
January 24, 2025
Slowly quenched, high pressure glassy B2O3 at DFT accuracy
Debendra Meher, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Chemical Physics
|
March 25, 2026
On the boroxol ring fraction in melt-quenched B2O3 glass: Insights from machine learning potentials
Debendra Meher, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Physical Chemistry Letters
|
June 9, 2018
Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study
Nikhil V S Avula, Anirban Mondal, Sundaram Balasubramanian
The Journal of Physical Chemistry. B
|
June 10, 2026
Hydration Environment of Complexes and Their Dynamics in Aqueous Zinc Chloride Solutions
Disha Brahma, Nikhil V S Avula, Sundaram Balasubramanian
Journal of Chemical Theory and Computation
|
August 7, 2025
Decoding Temperature-Dependent Conformer Populations and Dipole Moments in Liquid Ethylene Glycol with Classical and Machine-Learned Potentials
Anjali Gaur, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Physical Chemistry. B
|
September 15, 2020
Insights into the Stabilization of Fluoride Ions in Ionic Liquids: Pointers to Better Fluorinating Agents
Anjali Gaur, Nikhil V S Avula, Sundaram Balasubramanian
The Journal of Physical Chemistry Letters
|
October 18, 2023
Understanding the Anomalous Diffusion of Water in Aqueous Electrolytes Using Machine Learned Potentials
Nikhil V S Avula, Michael L Klein, Sundaram Balasubramanian
Journal of Chemical Theory and Computation
|
June 7, 2021
Efficient Parametrization of Force Field for the Quantitative Prediction of the Physical Properties of Ionic Liquid Electrolytes
Nikhil V S Avula, Anwesa Karmakar, Rahul Kumar, et al.
The Journal of Physical Chemistry Letters
|
October 30, 2020
Hopping in High Concentration Electrolytes - Long Time Bulk and Single-Particle Signatures, Free Energy Barriers, and Structural Insights
Srimayee Mukherji, Nikhil V S Avula, Rahul Kumar, et al.
Page
of 1