Arthi Jayaraman
#133,467
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Arthi Jayaramanchemistry Degrees
Chemistry
#5271
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#6421
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Chemical Engineering
#734
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#754
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Chemistry
Arthi Jayaraman's Degrees
- PhD Chemical Engineering Stanford University
- Masters Chemical Engineering Stanford University
Why Is Arthi Jayaraman Influential?
(Suggest an Edit or Addition)According to Wikipedia, Arthi Jayaraman is an Indian-American scientist who is the Centennial Term Professor for Excellence in Research and Education at the University of Delaware. Her research considers the development of computational models to better understand polymer nanocomposites and biomaterials. Jayaraman was elected Fellow of the American Physical Society in 2020.
Arthi Jayaraman's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Modeling and Simulations of Polymers: A Roadmap (2019) (214)
- Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites. (2014) (179)
- Molecular theories of polymer nanocomposites (2010) (156)
- Effective Interactions and Self-Assembly of Hybrid Polymer Grafted Nanoparticles in a Homopolymer Matrix (2009) (102)
- Unraveling the Structure and Function of Melanin through Synthesis. (2021) (96)
- Effective Interactions, Structure, and Phase Behavior of Lightly Tethered Nanoparticles in Polymer Melts (2008) (81)
- Understanding the effect of polylysine architecture on DNA binding using molecular dynamics simulations. (2011) (79)
- Polymer grafted nanoparticles: Effect of chemical and physical heterogeneity in polymer grafts on particle assembly and dispersion (2013) (75)
- Polydispersity for tuning the potential of mean force between polymer grafted nanoparticles in a polymer matrix. (2013) (71)
- Wetting-Dewetting and Dispersion-Aggregation Transitions Are Distinct for Polymer Grafted Nanoparticles in Chemically Dissimilar Polymer Matrix. (2015) (70)
- Structure and assembly of dense solutions and melts of single tethered nanoparticles. (2008) (65)
- Computationally Linking Molecular Features of Conjugated Polymers and Fullerene Derivatives to Bulk Heterojunction Morphology (2013) (62)
- Self-Consistent PRISM Theory—Monte Carlo Simulation Studies of Copolymer Grafted Nanoparticles in a Homopolymer Matrix (2010) (61)
- Effect of the number and placement of polymer tethers on the structure of concentrated solutions and melts of hybrid nanoparticles. (2008) (57)
- Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix. (2011) (56)
- Polydisperse homopolymer grafts stabilize dispersions of nanoparticles in a chemically identical homopolymer matrix: an integrated theory and simulation study (2013) (47)
- Identifying the Ideal Characteristics of the Grafted Polymer Chain Length Distribution for Maximizing Dispersion of Polymer Grafted Nanoparticles in a Polymer Matrix (2013) (47)
- Computer simulation study of probe-target hybridization in model DNA microarrays: effect of probe surface density and target concentration. (2007) (44)
- Molecular Dynamics Simulation and PRISM Theory Study of Assembly in Solutions of Amphiphilic Bottlebrush Block Copolymers (2018) (41)
- The good host: formation of discrete one-dimensional fullerene "channels" in well-ordered poly(2,5-bis(3-alkylthiophen-2-yl)thieno[3,2-b]thiophene) oligomers. (2014) (40)
- Assembly of copolymer functionalized nanoparticles: a Monte Carlo simulation study (2011) (39)
- Diblock Copolymer Grafted Particles as Compatibilizers for Immiscible Binary Homopolymer Blends. (2015) (38)
- Integrating PRISM theory and Monte Carlo simulation to study polymer-functionalised particles and polymer nanocomposites (2012) (36)
- Effect of Peptide Sequence on the LCST-Like Transition of Elastin-Like Peptides and Elastin-Like Peptide-Collagen-Like Peptide Conjugates: Simulations and Experiments. (2019) (35)
- Controlling the Morphology of Model Conjugated Thiophene Oligomers Through Alkyl Side Chain Length, Placement, and Interactions (2014) (35)
- Designing pattern-recognition surfaces for selective adsorption of copolymer sequences using lattice monte carlo simulation. (2005) (34)
- Effect of Polymer Architecture on the Structure and Interactions of Polymer Grafted Particles: Theory and Simulations (2017) (34)
- Interaction of Hyaluronan Binding Peptides with Glycosaminoglycans in Poly(ethylene glycol) Hydrogels (2014) (34)
- Decreasing Polymer Flexibility Improves Wetting and Dispersion of Polymer-Grafted Particles in a Chemically Identical Polymer Matrix. (2014) (33)
- Computer simulation study of molecular recognition in model DNA microarrays. (2006) (33)
- Monte carlo simulations of polydisperse polymers grafted on spherical surfaces (2012) (33)
- pyPRISM: A Computational Tool for Liquid-State Theory Calculations of Macromolecular Materials. (2018) (31)
- Using Theory and Simulations To Calculate Effective Interactions in Polymer Nanocomposites with Polymer-Grafted Nanoparticles (2016) (30)
- Liquid state theory of the structure and phase behaviour of polymer-tethered nanoparticles in dense suspensions, melts and nanocomposites (2009) (28)
- 100th Anniversary of Macromolecular Science Viewpoint: Modeling and Simulation of Macromolecules with Hydrogen Bonds: Challenges, Successes, and Opportunities. (2020) (28)
- Effect of conjugation on phase transitions in thermoresponsive polymers: an atomistic and coarse-grained simulation study. (2017) (26)
- Effect of monomer sequences on conformations of copolymers grafted on spherical nanoparticles: a Monte Carlo simulation study. (2010) (24)
- Structure and thermodynamics of ssDNA oligomers near hydrophobic and hydrophilic surfaces (2013) (24)
- Assembly of Amphiphilic Block Copolymers and Nanoparticles in Solution: Coarse-Grained Molecular Simulation Study (2018) (24)
- Scaling Exponent and Effective Interactions in Linear and Cyclic Polymer Solutions: Theory, Simulations, and Experiments (2019) (24)
- Development of a Coarse-Grained Model of Collagen-Like Peptide (CLP) for Studies of CLP Triple Helix Melting. (2018) (24)
- Impact of Hydrogen Bonding Interactions on Graft–Matrix Wetting and Structure in Polymer Nanocomposites (2019) (24)
- Hybrid Atomistic and Coarse-Grained Molecular Dynamics Simulations of Polyethylene Glycol (PEG) in Explicit Water. (2016) (23)
- PRISM Theory Study of Amphiphilic Block Copolymer Solutions with Varying Copolymer Sequence and Composition (2017) (23)
- Molecular dynamics simulation study of linear, bottlebrush, and star-like amphiphilic block polymer assembly in solution. (2019) (22)
- Effect of matrix bidispersity on the morphology of polymer‐grafted nanoparticle‐filled polymer nanocomposites (2014) (22)
- Adsorption of comb copolymers on weakly attractive solid surfaces. (2005) (22)
- Tuning the wetting–dewetting and dispersion–aggregation transitions in polymer nanocomposites using composition of graft and matrix polymers (2016) (21)
- Molecular simulation study of the assembly of DNA-functionalised nanoparticles: Effect of DNA strand sequence and composition (2013) (21)
- Assembly of diblock copolymer functionalized spherical nanoparticles as a function of copolymer composition. (2014) (20)
- Molecular simulations of polycation-DNA binding exploring the effect of peptide chemistry and sequence in nuclear localization sequence based polycations. (2013) (20)
- Effect of Hydrophobic and Hydrophilic Surfaces on the Stability of Double-Stranded DNA. (2015) (20)
- Coarse-Grained Simulation Studies of Effects of Polycation Architecture on Structure of the Polycation and Polycation–Polyanion Complexes (2012) (19)
- Effect of backbone chemistry on hybridization thermodynamics of oligonucleic acids: a coarse-grained molecular dynamics simulation study. (2016) (19)
- Experiments and Simulations of Complex Sugar-Based Coil-Brush Block Polymer Nanoassemblies in Aqueous Solution. (2019) (18)
- Molecular Modeling and Simulations of Peptide-Polymer Conjugates. (2020) (18)
- Effect of blockiness in grafted monomer sequences on assembly of copolymer grafted nanoparticles: a Monte Carlo simulation study (2013) (17)
- Experimental and theoretical evidence for molecular forces driving surface segregation in photonic colloidal assemblies (2019) (16)
- Dispersing Zwitterions into Comb Polymers for Nonviral Transfection: Experiments and Molecular Simulation. (2016) (15)
- Computational Reverse-Engineering Analysis for Scattering Experiments on Amphiphilic Block Polymer Solutions. (2019) (15)
- Machine Learning Enhanced Computational Reverse Engineering Analysis for Scattering Experiments (CREASE) to Determine Structures in Amphiphilic Polymer Solutions (2021) (15)
- Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study (2015) (14)
- Dispersion and Aggregation of Polymer Grafted Particles in Polymer Nanocomposites Driven by the Hardness and Size of the Grafted Layer Tuned by Attractive Graft–Matrix Interactions (2020) (14)
- Computer simulation study of pattern transfer in AB diblock copolymer film adsorbed on a heterogeneous surface. (2005) (13)
- Self-assembly of amphiphilic polymers of varying architectures near attractive surfaces. (2019) (12)
- Computational Design of Oligopeptide Containing Poly(ethylene glycol) Brushes for Stimuli-Responsive Drug Delivery. (2015) (12)
- Computational Reverse-Engineering Analysis of Scattering Experiments (CREASE) on Amphiphilic Block Polymer Solutions: Cylindrical and Fibrillar Assembly (2021) (12)
- Sequence-specific recognition of cancer drug-DNA adducts by HMGB1a repair protein. (2012) (11)
- Hierarchical Self-Assembly of Poly(d-glucose carbonate) Amphiphilic Block Copolymers in Mixed Solvents (2020) (11)
- Interfacial Compatibilization in Ternary Polymer Nanocomposites: Comparing Theory and Experiments (2021) (10)
- Computational Reverse-Engineering Analysis for Scattering Experiments (CREASE) with Machine Learning Enhancement to Determine Structure of Nanoparticle Mixtures and Solutions (2022) (10)
- Molecular Modeling and Simulation of Polymer Nanocomposites with Nanorod Fillers. (2021) (10)
- Molecular simulation study of assembly of DNA-grafted nanoparticles: effect of bidispersity in DNA strand length (2014) (9)
- Anisotropic Synthetic Allomelanin Materials via Solid State Polymerization of Self-Assembled 1,8-Dihydroxynaphthalene Dimers. (2021) (9)
- Simulation study of the effects of surface chemistry and temperature on the conformations of ssDNA oligomers near hydrophilic and hydrophobic surfaces (2014) (9)
- Effects of Polymer Conjugation on Hybridization Thermodynamics of Oligonucleic Acids. (2016) (9)
- Morphological studies of blends of conjugated polymers and acceptor molecules using langevin dynamics simulations (2013) (8)
- Surface composition and ordering of binary nanoparticle mixtures in spherical confinement (2020) (8)
- Structural Color Production in Melanin‐Based Disordered Colloidal Nanoparticle Assemblies in Spherical Confinement (2021) (8)
- Self-Assembly of Allomelanin Dimers and the Impact of Poly(ethylene glycol) on the Assembly: A Molecular Dynamics Simulation Study. (2020) (7)
- Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework (2021) (7)
- Placement of Tyrosine Residues as a Design Element for Tuning the Phase Transition of Elastin-peptide-containing Conjugates: Experiments and Simulations. (2020) (7)
- Leveraging Gibbs Ensemble Molecular Dynamics and Hybrid Monte Carlo/Molecular Dynamics for Efficient Study of Phase Equilibria. (2016) (7)
- Coarse-grained molecular dynamics simulations of α-1,3-glucan. (2019) (6)
- Combining simulations and experiments for the molecular engineering of multifunctional collagen mimetic peptide-based materials. (2021) (6)
- Role of structure and dynamics of DNA with cisplatin and oxaliplatin adducts in various sequence contexts on binding of HMGB1a (2012) (6)
- Development of a New Coarse-Grained Model to Simulate Assembly of Cellulose Chains Due to Hydrogen Bonding. (2020) (6)
- Molecular dynamics simulations and PRISM theory study of solutions of nanoparticles and triblock copolymers with solvophobic end blocks (2018) (5)
- Computational Reverse Engineering Analysis for Scattering Experiments (CREASE) on Vesicles Assembled from Amphiphilic Macromolecular Solutions (2021) (5)
- Computational Reverse-Engineering Analysis for Scattering Experiments of Assembled Binary Mixture of Nanoparticles (2021) (5)
- Melting thermodynamics of oligonucleic acids conjugated with relatively solvophobic linear polymers: A coarse‐grained molecular simulation study (2019) (4)
- ssDNA-amphiphile architecture used to control dimensions of DNA nanotubes. (2019) (4)
- Modeling Structural Colors from Disordered One-Component Colloidal Nanoparticle-Based Supraballs Using Combined Experimental and Simulation Techniques (2022) (4)
- Macromolecular 'size' and 'hardness' drives structure in solvent-swollen blends of linear, cyclic, and star polymers. (2018) (4)
- Effect of oligonucleic acid (ONA) backbone features on assembly of ONA-star polymer conjugates: a coarse-grained molecular simulation study. (2017) (4)
- Development of Coarse-Grained Models for Poly(4-vinylphenol) and Poly(2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding (2020) (3)
- Effect of side chain length on the morphology of blends of 2,5‐bis(3‐alkylthiophen‐2‐yl)thieno[3,2‐b]thiophene oligomers and fullerene derivatives (2016) (3)
- Impact of Composition and Placement of Hydrogen-Bonding Groups along Polymer Chains on Blend Phase Behavior: Coarse-Grained Molecular Dynamics Simulation Study (2022) (3)
- Effect of additive length and chemistry on the morphology of blends of conjugated thiophenes and fullerene derivative acceptor molecules (2015) (3)
- Effect of Nanorod Physical Roughness on the Aggregation and Percolation of Nanorods in Polymer Nanocomposites. (2021) (2)
- Machine Learning-Enhanced Computational Reverse-Engineering Analysis for Scattering Experiments (CREASE) for Analyzing Fibrillar Structures in Polymer Solutions (2022) (2)
- Inaugural Editorial for ACS Polymers Au (2021) (1)
- Computational Reverse-Engineering Analysis for Scattering Experiments (CREASE) on the Self-Assembly of Amphiphilic Polymer-peptide Conjugates (2021) (1)
- Semi-supervised machine learning workflow for analysis of nanowire morphologies from transmission electron microscopy images (2022) (1)
- Effect of bidispersity in grafted chain length on potential of mean force between polymer grafted nanoparticles in a homopolymer matrix (2012) (1)
- Computational Reverse-Engineering Analysis for Scattering Experiments for Form Factor and Structure Factor Determination (“P(q) and S(q) CREASE”) (2022) (1)
- Understanding the Effect of Heterogeneous Particle Functionalization on Graft–Matrix Wetting and Structure in Polymer Nanocomposites Containing Grafted Nanoparticles Using Multiscale Modeling and Simulation (2021) (1)
- Theoretical study of kinetics of zipping phenomena in biomimetic polymers. (2007) (1)
- ACS Polymers Au’s First Issue (2021) (1)
- Publishing in and Reviewing for ACS Polymers Au (2021) (1)
- Impact of collagen-like peptide (CLP) heterotrimeric triple helix design on helical thermal stability and hierarchical assembly: a coarse-grained molecular dynamics simulation study. (2022) (1)
- Coarse-Grained Models for Predicting Structure and Thermodynamics in Polymer Systems with Specific and Directional Intermolecular Interactions (2019) (1)
- Self-supervised machine learning model for analysis of nanowire morphologies from transmission electron microscopy images (2022) (1)
- Collagen-Peptide-Based Drug Delivery Strategies (2020) (1)
- Theory and Simulation Studies of Effect of Entropic and Enthalpic Driving Forces on Morphology in Polymer Grafted Particle Filled Nanocomposites (2015) (1)
- Effects of Copolymer Architecture on the Structure and Thermodynamics of Self-Assembly in Block Copolymer Solutions: a Coarse-Grained Molecular Dynamics Study (2018) (0)
- Coarse-grained molecular dynamics simulations linking molecular features of polycations to polycation-polyanion complexation for gene delivery (2014) (0)
- Effect of Matrix Polydispersity on Morphology of Hybrid Materials Consisting of Homopolymer Grafted Nanoparticles in a Homopolymer Matrix (2014) (0)
- Theory and Simulation Studies of Copolymer Functionalized Nanoparticles in Polymer Nanocomposites (2010) (0)
- ACS Polymers Au’s Most Viewed Papers in 2021 (2022) (0)
- Anisotropic Synthetic Allomelanin Materials via Solid‐State Polymerization of Self‐Assembled 1,8‐Dihydroxynaphthalene Dimers (2021) (0)
- Development of Simulation Methods in the Gibbs Ensemble to Predict Polymer-Solvent Phase Equilibria (2016) (0)
- Using PRISM theory and molecular simulations to understand the complex interplay of copolymer sequence and architecture on assembly in polymer solutions (2019) (0)
- Final Report: Predictive coarse-grained (CG) modeling of morphologies in polymer nanocomposites with specific and directional intermolecular interactions (2022) (0)
- Cover Picture: Anisotropic Synthetic Allomelanin Materials via Solid‐State Polymerization of Self‐Assembled 1,8‐Dihydroxynaphthalene Dimers (Angew. Chem. Int. Ed. 32/2021) (2021) (0)
- Mechanism of Structural Colors in Binary Mixtures of Nanoparticle-based Supraballs (2022) (0)
- Coarse-grained molecular simulation studies of effect of solvent quality on melting thermodynamics of oligonucleic acids (ONA) and ONA-polymer conjugates (2019) (0)
- Integrating PRISM theory and molecular dynamics simulations for studying assembly in solutions of block copolymers with varying sequences and composition (2018) (0)
- Structure and Assembly of Dense Solutions and Melts of Polymer Tethered Nanoparticles (2008) (0)
- Salt Distribution, Domain Spacing, and Interfacial Characteristics in Lithium Ion-Doped Block Polymer Electrolyte Films (2017) (0)
- Polymer Reference Interaction Site Model (PRISM) Theory and Molecular Simulation Studies of Polymer Nanocomposites (2020) (0)
- Molecular design and engineering of biomimetic, bioinspired and biologically derived materials (2020) (0)
- Assembly of diblock copolymer grafted nanoparticles in a homopolymer blend matrix (2014) (0)
- Using multi-scale molecular simulations to guide experimental design of biomaterials for drug and DNA delivery (2015) (0)
- Computer Simulation Studies of Pattern Recognition in Biomimetic Polymers (2006) (0)
- Effect of competing monomer-monomer and monomer-particle interactions on the assembly of copolymer grafted nanoparticles (2012) (0)
- Molecular simulations study of assembly in solutions of block copolymers and nanoparticles (2018) (0)
- Molecular simulation studies of morphology in blends of conjugated polymers and fullerene derivatives for organic photovoltaic applications (2013) (0)
- Solvent quality and polymer concentration effects in linear and cyclic polymer solutions (2019) (0)
- Self-Consistent PRISM Theory-Monte Carlo Simulation of Functionalized Nanoparticles in a Polymer Matrix (2010) (0)
- A Tribute to Carol K. Hall. (2021) (0)
- Polymer Functionalized Nanoparticles in Polymer Nanocomposites (2013) (0)
- Dissipative Particle Dynamics Studies of Rod-Coil Polymer Nanocomposites (2012) (0)
- Understanding Linear and Cyclic Polymer Chain Conformations and Thermodynamics in Solution (2018) (0)
- Using Molecular Simulations to Link Chemical and Physical Features of Conjugated Polymers and Fullerene Derivatives to Bulk Heterojunction Morphology for Organic Photovoltaics (2014) (0)
- Creating function from disorder in mechanical networks (2017) (0)
- Coarse-Grained Modeling and Simulations of Thermoresponsive Biopolymers and Polymer Nanocomposites with Specific and Directional Interactions (2021) (0)
- Dispersion-Aggregation and Wetting-Dewetting Phase Transitions in Mixtures of Polymer Grafted Nanoparticles and a Chemically Dissimilar Polymer Matrix (2016) (0)
- Polydispersity Effects on Scaling Behavior of Polymers Grafted on Surfaces of Varying Curvature (2012) (0)
- Polymer solution structure and dynamics within pores of hexagonally close-packed nanoparticles. (2022) (0)
- ACS Polymers Au Recognizes Rising Stars in Polymers in 2021 (2022) (0)
- Coarse-grained Molecular Simulation Studies of Complexation of Sulfobetaine-Lysine Copolymer and DNA for Gene Delivery (2015) (0)
- Self-assembly of Bottlebrush Block Polymers at Surfaces using Coarse-grained Molecular Dynamics Simulations (2019) (0)
- Open-Source Molecular Modeling Software in Chemical Engineering Focusing on the Molecular Simulation Design Framework (2020) (0)
- Synergistic Role of Temperature and Salinity in Aggregation of Nonionic Surfactant-Coated Silica Nanoparticles (2023) (0)
- ACS Polymers Au’s Grand Challenges in Polymer Science (2023) (0)
- Phase Behavior and Morphology of Blends Containing Associating Polymers: Insights from Liquid-State Theory and Molecular Simulations (2022) (0)
- Final report for the DOE Early Career Award #DE-SC0003912 (2016) (0)
- Self-Assembly of Computationally Designed Amphiphilic Block copolymers in Solution (2018) (0)
- Effect of Backbone Design on Hybridization Thermodynamics of Oligo-nucleic Acids: A Coarse-Grained Molecular Dynamics Simulation Study (2016) (0)
- Multiscale Simulation Study of Synthetic Melanin Nanoparticle Self-Assembly (2018) (0)
- A theoretical study of polymer grafted nanoparticles as fillers in polymer nanocomposites (2009) (0)
- Using theory and simulation to link molecular features of nanoscale fillers to morphology in polymer nanocomposites (2014) (0)
- Designing Functionalized Nanoparticles for Controlled Assembly in Polymer Matrix: Self consistent PRISM Theory and Monte Carlo simulation Study (2011) (0)
- Using Atomistic Molecular Dynamics Simulations to Guide Development of Coarse-Grained Models of Polyethylene glycol (PEG), Elastic-like peptides (ELP) and Collagen-like peptides (CMP) For Biomaterial Design (2016) (0)
- Impact of Polydopamine Nanoparticle Surface Pattern and Roughness on Interactions with Poly(ethylene glycol) in Aqueous Solution: A Multiscale Modeling and Simulation Study. (2022) (0)
- ACS Polymers Au Recognizes 2022 Rising Stars in Polymers (2022) (0)
- Self-Assembly of poly(D-glucose carbonate) Amphiphilic Block copolymers in Solution (2019) (0)
- Theory and simulations linking molecular features to morphology in polymer nanocomposites (2013) (0)
- Titelbild: Anisotropic Synthetic Allomelanin Materials via Solid‐State Polymerization of Self‐Assembled 1,8‐Dihydroxynaphthalene Dimers (Angew. Chem. 32/2021) (2021) (0)
- Gibbs Ensemble Simulations of the Solvent Swelling of Polymer Films (2017) (0)
- Surface segregation of binary particles in photonic colloidal assemblies (2019) (0)
- Design and Implementation of pyPRISM: A Polymer Liquid-State Theory Framework (2018) (0)
- Research Centers & Training Programs (2014) (0)
- Using Polydispersity in Polymer Grafted Nanoparticles for Tuning Morphology in Polymer Nanocomposites (2013) (0)
- Simulation Studies of LCST-like Phase Transitions in Elastin-like Polypeptides (ELPs) and Conjugates of ELP with Rigid Macromolecules (2017) (0)
- Effect of Graft Polymer Architecture on the Grafted Layer Structure in Polymer Functionalized Nanoparticles. (2017) (0)
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Arthi Jayaraman is affiliated with the following schools: