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Ajay Muralidharan
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Year
Molecular Dynamics of Lithium Ion Transport in a Model Solid Electrolyte Interphase
A Muralidharan, MI Chaudhari, LR Pratt, SB Rempe
Scientific Reports 8 (1), 2018
502018
Hydration mimicry by membrane ion channels
MI Chaudhari, JM Vanegas, LR Pratt, A Muralidharan, SB Rempe
Annual review of physical chemistry 71, 461-484, 2020
352020
Assessment of simple models for molecular simulation of ethylene carbonate and propylene carbonate as solvents for electrolyte solutions
MI Chaudhari, A Muralidharan, LR Pratt, SB Rempe
Modeling Electrochemical Energy Storage at the Atomic Scale, 53-77, 2018
28*2018
Quasi-Chemical Theory for Anion Hydration and Specific Ion Effects: Cl (aq) vs. F (aq)
A Muralidharan, LR Pratt, MI Chaudhari, SB Rempe
Chemical Physics Letters, 2019
252019
Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F) Anion Hydration
A Muralidharan, LR Pratt, MI Chaudhari, SB Rempe
The Journal of Physical Chemistry A 122 (51), 9806-9812, 2018
152018
Why lithium ions stick to some anions and not others
TK Lytle, A Muralidharan, A Yethiraj
The Journal of Physical Chemistry B 125 (17), 4447-4455, 2021
92021
Molecular Simulation Results on Charged Carbon Nanotube Forest‐Based Supercapacitors
A Muralidharan, LR Pratt, GG Hoffman, MI Chaudhari, SB Rempe
ChemSusChem, 2018
9*2018
Molecular dynamics simulations of lithium ion transport through a model solid electrolyte interphase (sei) layer
A Muralidharan, M Chaudhari, S Rempe, LR Pratt
ECS Transactions 77 (11), 1155, 2017
92017
Comparison of single-ion molecular dynamics in common solvents
A Muralidharan, LR Pratt, MI Chaudhari, SB Rempe
The Journal of Chemical Physics 148 (22), 2018
62018
Solvation Induced Ring Puckering Effect in Fluorinated Prolines and Its Inclusion in Classical Force Fields
A Muralidharan, JR Schmidt, A Yethiraj
The Journal of Physical Chemistry B 124 (28), 5899-5906, 2020
32020
Molecular Modeling of Ions in Solution for Energy Storage and Biological Applications
A Muralidharan
Tulane University School of Science and Engineering, 2019
12019
Fast estimation of ion-pairing for screening electrolytes: A cluster can approximate a bulk liquid
A Muralidharan, A Yethiraj
The Journal of Chemical Physics 156 (5), 2022
2022
A graph theory-based statistical mechanics approach for nucleation of nano-porous materials
A Muralidharan, X Li, JR Schmidt
APS March Meeting Abstracts 2022, Z49. 004, 2022
2022
Development and Implementation of Enhanced Sampling Approaches: Applications to Ion-pairing in Battery Electrolytes and Nucleation ofNano-porous Materials
A Muralidharan, JR Schmidt, A Yethiraj
2021 AIChE Annual Meeting, 2021
2021
Shapes of Nonsymmetric Capillary Bridges
LR Pratt, DT Gomez, A Muralidharan, N Pesika
The Journal of Physical Chemistry B 125 (44), 12378-12383, 2021
2021
Tuning Ion Correlations for the Rational Design of (Poly)electrolytes
A Muralidharan, T Lytle, A Yethiraj
APS 2021 Slides, 2021
2021
Structural and transport characteristics of battery electrolytes based on lithium poly (bis-nonenyl malonato borate) in carbonate solvents
A Muralidharan, T Lytle, A Yethiraj
APS March Meeting Abstracts 2021, A03. 007, 2021
2021
Ring puckering correction for fluorinated prolines (software)
A Muralidharan, JR Schmidt, A Yethiraj
https://doi.org/10.6084/m9.figshare.12568550.v2, 2020
2020
Strategic incorporation of fluorinated prolines can lead to faster folding and stable proteins
A Muralidharan, JR Schmidt, A Yethiraj
Bulletin of the American Physical Society 65, 2020
2020
How to Distinguish F-(aq) from Cl-(aq) Locally?.
S Rempe, A Muralidharan, L Pratt
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2019
2019
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