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<!DOCTYPE html>
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<title>PKMLab | Interests</title>
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<h2>Interests</h2>
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<div class="mu-title">
<br>
<span class="mu-subtitle">Current Research Interest</span>
</div>
<div style="text-align: justify;"><big><span
style="color: rgb(204, 0, 0); font-weight: bold;">Multiscale Modeling
of Soft and Bio -materials: </span>One of my major research goal is to
pursue theoretical and numerical modeling connecting molecular and
macroscopic length scales to improve basic understanding of soft-matter
and biological systems, both from a fundamental and an applied point of
view. These aims imply development of appropriate molecular models and
efficient computational techniques, incorporating accurate force fields
for intra- and intermolecular interactions. We use theoretical
tools from Statistical Mechanics and develop effeicient Molecular
Dynamics (MD) and Monte Carlo </big>(MC) <big>techniques </big><big>and
various free energy calculation methods to study various problems of
current interest. Areas of current research interest include:</big><br>
<span style="color: rgb(51, 204, 0); font-weight: bold;"><br>
<span style="color: rgb(153, 51, 153); text-decoration: underline;">Computational
Materials science: </span><br>
</span>
<ul style="font-weight: bold;">
<li>Structure and dynamics of hyperbranched polymer (PAMAM, PPI,
PTEIM dendrimer)</li>
<li>self-assembly and phase behavior of oil/water/surfactant systems.</li>
<li>molecular mechanism of aggregation of chromonic liquid crystals
and monochelic/telechelic ionomers. </li>
<li>translocation of flexible bio-polymer through nanopore. </li>
<li>phase behavior of mixture of bent-core and rod-shaped molecules. </li>
<li>self-organization in ferro-electric smectic liquid crystals
composed of bent-core molecules.</li>
</ul>
</div>
<div style="text-align: left;"><span style="color: rgb(51, 204, 0);"><span
style="font-weight: bold; color: rgb(153, 51, 153); text-decoration: underline;">Computational
Nanotechnology:</span><br>
</span>
<ul style="font-weight: bold;">
<li>Dna based nanotechnolgy</li>
<li>DNA self-assembly on the surface</li>
<li>Transport of water and other organic liquid inside nanotube</li>
<li>Studying the behavior of nanotube bundles at very high pressure<br>
</li>
</ul>
<span style="color: rgb(51, 204, 0); font-weight: bold;"><br>
<span style="color: rgb(153, 51, 153); text-decoration: underline;">Computational
Biology:</span><br>
</span>
<ul style="font-weight: bold;">
<li>DNA-dendrimer complexation</li>
<li>DNA-histone interaction<br>
</li>
<li>ssDNA conformation</li>
</ul>
<div style="text-align: center;"><big><br>
More details can be found in the individual project page</big><br>
</div>
</div>
<h2><u>Ongoing Projects</u></h2>
</center>
<h3 style="text-align: left;"> <a
href="http://www.physics.iisc.ernet.in/%7Emaiti/dna_den.html">DNA-dendrimer
complexation</a></h3>
<div style="text-align: left;"> </div>
<h3 style="text-align: left;"><a
href="http://www.physics.iisc.ernet.in/%7Emaiti/water_nt.html">Water
transport and nature of single-file diffusion in nanotube</a></h3>
<div style="text-align: left;"> </div>
<h3 style="text-align: left;"><a
href="http://www.wag.caltech.edu/home/maiti/dna.html">DNA based
Nanotechnology</a> <br>
</h3>
<div style="text-align: left;"> </div>
<h3 style="text-align: left;"> <a
href="http://www.wag.caltech.edu/pamam">Structure of PAMAM dendrimers
up to limiting generations</a></h3>
<div style="text-align: left;"> </div>
<div> </div>
<h3 style="text-align: left;"> <a
href="http://www.wag.caltech.edu/home/maiti/dendrimer.html">Self-Assembly
and Cu++ binding in Dendrimer polymer</a></h3>
<h3> </h3>
<h3> </h3>
<p> <br>
<br>
<br>
<br>
<br>
</p>
<h3> </h3>
<center>
<h3> <u>Past Research Works</u></h3>
</center>
<h3> <a
href="http://www.physics.iisc.ernet.in/%7Emaiti/banana.html">Atomistic
Simulation of Bent-core Smectic Liquid Crystals</a></h3>
<h3> <a
href="http://www.physics.iisc.ernet.in/%7Emaiti/chromonic.html">Self-Assembly
in Lyotropic chromonic Liquid Crystals</a></h3>
<h3> <font color="#009900"><a
href="http://www.physics.iisc.ernet.in/%7Emaiti/oligo.html">Self-Assembly
in Surfactant Oligomers: A Coarse Grained Description through Molecular
Dynamics Simulation</a></font></h3>
<h3> <a
href="http://www.physics.iisc.ernet.in/%7Emaiti/ban_mix/ban_mix.html">Effect
of Bent-Core Molecules in a Smectic A Solvent</a></h3>
<h3> <a
href="http://www.physics.iisc.ernet.in/%7Emaiti/zig_zag/zig_zag.html">Phase
behavior of zig-zag shaped molecules</a></h3>
<h3> <a
href="http://bly.colorado.edu/%7Elansac/translocation.html">
Coarse-grained simulation of polymer translocation through an artificial
nanopore</a></h3>
</div>
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