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 | 57 | 2018 |
Hydration mimicry by membrane ion channels MI Chaudhari, JM Vanegas, LR Pratt, A Muralidharan, SB Rempe Annual review of physical chemistry 71 (1), 461-484, 2020 | 43 | 2020 |
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 | 34* | 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 | 27 | 2019 |
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 | 16 | 2018 |
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 | 12 | 2021 |
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 | 10 | 2017 |
Molecular Simulation Results on Charged Carbon Nanotube Forest‐Based Supercapacitors A Muralidharan, LR Pratt, GG Hoffman, MI Chaudhari, SB Rempe ChemSusChem, 2018 | 9* | 2018 |
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 | 8 | 2018 |
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 | 3 | 2020 |
Shapes of Nonsymmetric Capillary Bridges LR Pratt, DT Gomez, A Muralidharan, N Pesika The Journal of Physical Chemistry B 125 (44), 12378-12383, 2021 | 1 | 2021 |
Molecular Modeling of Ions in Solution for Energy Storage and Biological Applications A Muralidharan Tulane University, 2019 | 1 | 2019 |
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 of Nano-Porous Materials A Muralidharan, JR Schmidt, A Yethiraj 2021 AIChE Annual Meeting, 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 |