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<!DOCTYPE html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no" />
<meta name="description" content="" />
<meta name="author" content="" />
<title>Portfolio - Rajendra Maharjan</title>
<link rel="icon" type="image/x-icon" href="assets/img/favicon.ico" />
<!--<script src="https://use.fontawesome.com/releases/v6.3.0/js/all.js" crossorigin="anonymous"></script>-->
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<link href="css/styles.css" rel="stylesheet" />
</head>
<body id="page-top">
<!-- Navigation-->
<nav class="navbar navbar-expand-lg navbar-dark bg-primary fixed-top" id="sideNav">
<a class="navbar-brand js-scroll-trigger" href="#page-top">
<span class="d-block d-lg-none">Rajendra Maharjan</span>
<span class="d-none d-lg-block"><img class="img-fluid img-profile rounded-circle mx-auto mb-2" src="assets/img/profile.jpg" alt="Rajendra Maharjan" /></span>
</a>
<button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbarResponsive" aria-controls="navbarResponsive" aria-expanded="false" aria-label="Toggle navigation"><span class="navbar-toggler-icon"></span></button>
<div class="collapse navbar-collapse" id="navbarResponsive">
<ul class="navbar-nav">
<li class="nav-item"><a class="nav-link js-scroll-trigger" href="#about">About</a></li>
<li class="nav-item"><a class="nav-link js-scroll-trigger" href="#research">Research</a></li>
<li class="nav-item"><a class="nav-link js-scroll-trigger" href="#publication">Publication</a></li>
<!--<li class="nav-item"><a class="nav-link js-scroll-trigger" href="#education">Education</a></li>-->
<li class="nav-item"><a class="nav-link js-scroll-trigger" href="#skills">Skills</a></li>
</ul>
</div>
</nav>
<!-- Page Content-->
<div class="container-fluid p-0">
<!-- About-->
<section class="resume-section" id="about">
<div class="resume-section-content">
<h1 class="mb-0">
Rajendra
<span class="text-primary">Maharjan</span>
</h1>
<div class="subheading mb-5">
<p> Visiting Assistant Professor
<br> <a href="https://www.grinnell.edu/academics/majors-concentrations/chemistry"> Department of Chemistry </a>
<br> <a href="https://www.grinnell.edu/"> Grinnell College </a>
<br> Grinnell, IA, 50112
<br> <a href="maharjanra@grinnell.edu"><i class="fa-solid fa-envelope"></i> maharjanra@grinnell.edu</a>
</p>
</div>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-1">Education and Training</h3>
<p>
<ul>
<li>PhD: Department of Chemistry, Oklahoma State University, Stillwater 74075, Oklahoma. [August 2017 - December 2023]</li>
<li>MS : Central Deparment of Chemistry, Tribhuvan University, Kathmandu, Nepal.</li>
<li>BS : Tri-Chandra Multiple Campus, Tribhuvan University, Kathmandu, Nepal.</li>
</ul>
Click to open a <a href="assets/img/project/resume_rajendra.pdf">resume</a>.
</p>
</div>
</div>
<div class="social-icons">
<a class="social-icon" href="https://www.linkedin.com/in/rajendramaharjan49a95ab2/" ><i class="fab fa-linkedin-in"></i></a>
<a class="social-icon" href="https://github.com/rmaharj17"><i class="fab fa-github"></i></a>
</div>
</div>
</section>
<hr class="m-0" />
<!-- Research -->
<section class="resume-section" id="research">
<div class="resume-section-content">
<h2 class="mb-5">Research</h2>
<div class="d-flex flex-column flex-md-row justify-content-between mb-1">
<div class="flex-grow-1">
<h3 class="mb-0">Oklahoma State University</h3>
<div class="subheading mb-3">Graduate Teaching/Research Assistant</div>
</div>
</div>
<p><strong>Advisor:</strong> Christopher J. Fennell, PhD</p>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-1">Project-1 : Assessing Order in Liquid, Supercooled, and Crystalline Water</h3>
<p>
This research focusses on studying water structural ordering in liquid, crystalline, and supercooled water, network topology analysis of water hydrogen bonded condensed system, dipole moment distribution of water in condensed phase.
<ul>
<li>Developed an algorithm (nucleation_tracker written in both C++ and Python) to study network topology analysis and water structural ordering using an order parameter.</li>
<li>Monitor closed rings distribution in liquid and supercooled water using different empirical potential water models at different temperatures.</li>
<li>Studied intrinsic hydrogen bonded polygons in different known ice polymorphs and render the Pov‑Ray image unique to each ice polymorphs.</li>
<li>Studied tetrahedral order parameter for water ordering in liquid, supercooled liquid, and ice.</li>
<li>Stochastic growth of ice using crystal seed and direct coexistence method from pure water</li>
<li>Network topology analysis and water structural ordering during molecular dynamics (MD) simulation.</li>
<li>Study of crystal defects during ice formation.</li>
</ul>
</p>
</div>
</div>
<!-- Carousel Project 1-->
<div class="resume-section-content">
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<div class="flex-shrink-0">
<div id="carouselProjectOne" class="carousel slide carousel-fade mb-5" data-bs-ride="carousel">
<div class="carousel-inner">
<div class="carousel-item active" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project1-ringOrdering/1hbond_network.png" alt="...">
</div>
<div class="carousel-item" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project1-ringOrdering/2wire_repr.png" alt="...">
</div>
<div class="carousel-item" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project1-ringOrdering/3wireRepr_ringSphere.png" alt="...">
</div>
</div>
</div>
</div>
</div>
<div class="flex-shrink-0"><span class="text-primary"><img class="img-fluid" src="assets/img/project/Project1-ringOrdering/4waterOrdering_application.png" alt="..."></span></div>
</div>
</div>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-1">Project-2 : Dipole Moment Distribution Analysis in Liquid Water and Ice</h3>
<p>
The dipole moment of gas phase water is accurately determined to be 1.85 D both experimentally and theoretically. However, the dipole moment of water in condensed phase is enhanced due to the environment effect through extensive hydrogen bonds. In this project, we mainly focus on various aspects of environmental effects to determine the dipole moment on target water molecule and study its moment distribution.
<ul>
<li>Determine the dipole moment distribution of water in liquid and ice using quantum approach (QM) and ab‑initio molecular dynamics (AIMD).
</li>
<li>Studied the polarization effect from the environment on enhancing the dipole moment of gas phase water in condensed system.</li>
<li>Developed an algorithm based on tabulated quantum calculation to determine the dipole moment of water at different temperatures that is
comparable to pure QM calculations.</li>
<li>Employed ice Ih and ice VII as a toy model to study moment distribution dependent on density, quality of hydrogen bonds, and hydrogen
bond distance.</li>
</ul>
</p>
</div>
</div>
<!-- Carousel Project 2-->
<div class="resume-section-content">
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<div class="flex-shrink-0">
<div id="carouselProjectOne" class="carousel slide carousel-fade mb-5" data-bs-ride="carousel">
<div class="carousel-inner">
<div class="carousel-item active" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project2-dipoleMoment/1method.png" alt="...">
</div>
<div class="carousel-item" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project2-dipoleMoment/2iceIh.png" alt="...">
</div>
<div class="carousel-item" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project2-dipoleMoment/3condensedSystem.png" alt="...">
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-1">Project-3 : Water Ordering due to Hydrophobic Effect of Solvated Non-Polar Solute</h3>
<p>
Hydrophobic particles are better know for water ordering especially due to its tendency to form clathrate hydrates. Clathrate hydrates of water are mainly composed of pentagons and some other polygons like hexagons and quadrilaterals. We monitor the influence of water structural ordering on pure water in presence of non-polar solute particles. On the other hand, the salts may be classified as chaotropes or kosmotropes based on the nature of salt ions. We used our ring enumerator tool to determine the degree of water ordering in presence of salts.
<ul>
<li>Studied how the hydrophobic particle enhance the water ordering using ’nucleation_tracker’ program</li>
<li>Carefully monitor the constructive interference behavior of two hydrophobic particles on water ordering.</li>
<li>Studied chaotropic effect of ions on water ordering.</li>
</ul>
</p>
</div>
</div>
<!-- Carousel Project 3-->
<div class="resume-section-content">
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<div class="flex-shrink-0">
<div id="carouselProjectOne" class="carousel slide carousel-fade mb-5" data-bs-ride="carousel">
<div class="carousel-inner">
<div class="carousel-item active" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project3-hydrophobicity/nps.png" alt="...">
</div>
<div class="carousel-item" data-bs-interval="2000">
<img class="img-fluid" src="assets/img/project/Project3-hydrophobicity/salt.png" alt="...">
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<!-- <div class="d-flex flex-column flex-md-row justify-content-between mb-1"> -->
<!-- <div class="flex-grow-1"> -->
<!-- <h3 class="mb-0">Tribhuwan University</h3> -->
<!-- <div class="subheading mb-3">Graduate Student</div> -->
<!-- </div> -->
<!-- </div> -->
<!-- <p><strong>Advisor:</strong> Amar Prasad Yadav, PhD</p> -->
<!-- <div class="d-flex flex-column flex-md-row justify-content-between mb-5"> -->
<!-- <div class="flex-grow-1"> -->
<!-- <h3 class="mb-1">Project 1: Preparation and Characterization of Solid‑State Electrochemical Sensor for the Determination of Ni(II)</h3> -->
<!-- <p> -->
<!-- This research focusses on studying water structural ordering in liquid, crystalline, and supercooled water, network topology analysis of water hydrogen bonded condensed system, dipole moment distribution of water in condensed phase. -->
<!-- <ul> -->
<!-- <li>Development of electrochemical sensor and improve its detection limit</li> -->
<!-- <li>Used alkaline medium to prepare the nano‑disc sensor and tested its performance in different solutions.</li> -->
<!-- <li>Used potentiometer to monitor the response of the sensor to the solution.</li> -->
<!-- </ul> -->
<!-- </p> -->
<!-- </div> -->
<!-- </div> -->
</div>
</section>
<hr class="m-0" />
<!-- Manuscripts-->
<section class="resume-section" id="publication">
<div class="resume-section-content">
<h2 class="mb-5">Publication and Manuscripts</h2>
<p class="mb-1"><strong>Maharjan R</strong>, Williamson C, and Fennell C. Assessing Order in Liquid, Supercooled, and Crystalline Water. ChemRxiv. 2025; doi:10.26434/chemrxiv-2025-7pc7f.</p>
<p class="mb-1"><strong>Rajendra Maharjan</strong>, and Christopher J. Fennell. Dipole Moment Distribution Analysis in Liquid Water and Ice. Manuscript in Preparation.</p>
<p class="mb-1"><strong>Rajendra Maharjan</strong>, Sarah Foy, Ibrahim Asad, and Christopher J. Fennell. Seeding Ice Crystallization in Molecular Simulations. Manuscript in Preparation.</p>
<p class="mb-1"><strong>Maharjan R.</strong>, Nakarmi, K. B.; and Yadav, A. P. Preparation and Characterization of Solid-State Electrochemical Sensor for the Determination of Ni(II). <i>J. Nepal Chem. Soc.</i> <b>2016</b>, <i>35</i>, 104–112. <a href="https://doi.org/10.5281/zenodo.15787601" target="_blank">https://doi.org/10.5281/zenodo.15794577</a>.</p>
</div>
</section>
<hr class="m-0" />
<!-- Education-->
<!--
<section class="resume-section" id="education">
<div class="resume-section-content">
<h2 class="mb-5">Education</h2>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-0">Oklahoma State University</h3>
<div class="subheading mb-1">PHD Candidate</div>
<div>Computational Chemistry</div>
</div>
<div class="flex-shrink-0"><span class="text-primary">August 2017 - Present</span></div>
</div>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-0">Tribhuwan University</h3>
<div class="subheading mb-1">Master of Science (M.Sc.)</div>
<div>Physical Chemistry</div>
</div>
<div class="flex-shrink-0"><span class="text-primary">August 2010 - May 2014</span></div>
</div>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h3 class="mb-0">Tri-Chandra Multiple Campus</h3>
<div class="subheading mb-1">Bachelor of Science (B.Sc.)</div>
<div>Chemistry & Microbiology</div>
</div>
<div class="flex-shrink-0"><span class="text-primary">March 2010</span></div>
</div>
<div class="d-flex flex-column flex-md-row justify-content-between mb-5">
<div class="flex-grow-1">
<h2 class="mb-5">Seminar</h2>
<p>Chem-6011: Hidden Structures and the Dipole Moment Distribution in Liquid Water and Ice. Department of Chemistry Seminar, May 23, 2023.</p>
<p>Chem-5011: Potentiometric Sensor Development for quantification of Cd(II) and other Heavy Metal Ions. Department of Chemistry Seminar, March 26, 2019.</p>
</div>
</div>
-->
</div>
</section>
<hr class="m-0" />
<!-- Skills-->
<section class="resume-section" id="skills">
<div class="resume-section-content">
<h2 class="mb-5">Skills</h2>
<div class="subheading mb-3">Programming Languages & Tools</div>
<ul class="list-inline dev-icons">
<li class="list-inline-item"><i class="fab fa-python"></i></li>
<li class="list-inline-item"><i class="fab fa-cuttlefish"></i>++</li>
<li class="list-inline-item"><i class="fab fa-github"></i></li>
</ul>
<ul class="fa-ul mb-0">
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Programming Skills:</strong> Python Programming for numerical calculations, Basic C++ programming, Basic Matlab programming, R-programming, Linux/Unix Programming </li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Software Carpentry Certified Instructor:</strong> Instructor and helper for software carpentry workshops for Unix Shell, Programming with Python, and Version Control with Git
</li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
Statistical data analysis and data visualization in Python, R, and Advanced MS Excel
</li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Molecular Dynamics Simulation:</strong> Used GROMACS and OpenMD packages for MD simulations
</li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Quantum Mechanics:</strong> Used 'Gaussian/g16' and NWChem for pure QM calculations and 'CP2K' for ab-initio molecular dynamics (AIMD)
</li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Computational tools:</strong> Used Chimera, Jmol, and Avogadro for molecule visualization and modeling, Inkscape for creating vector images, XM-Grace, Packmol
</li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Typesetting / Document Preparation / Referencing:</strong> LaTeX, MS Office, EndNote
</li>
<li>
<span class="fa-li"><i class="fas fa-check"></i></span>
<strong>Others:</strong> GNU Image Manipulation Program (GIMP) and Adobe photoshop for image processing
</li>
</ul>
</div>
</section>
<hr class="m-0" />
<!-- Awards-->
<!-- <section class="resume-section" id="awards"> -->
<!-- <div class="resume-section-content"> -->
<!-- <h2 class="mb-5">Awards & Certifications</h2> -->
<!-- <ul class="fa-ul mb-0"> -->
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<!-- <li> -->
<!-- <span class="fa-li"><i class="fas fa-trophy text-warning"></i></span> -->
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<!-- </li> -->
<!-- </ul> -->
<!-- </div> -->
<!-- </section> -->
</div>
<!-- Bootstrap core JS-->
<!--<script src="https://cdn.jsdelivr.net/npm/bootstrap@5.2.3/dist/js/bootstrap.bundle.min.js"></script>-->
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</body>
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