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        <h1>
          <a href="index.html">Whitmer Research Group</a>
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        <h2> Soft Materials Modeling and Computation</h2>
        <h3>
          <a href="http://cbe.nd.edu"> Department of Chemical and Biomolecular Engineering</a>
          //
          <a href="http://engineering.nd.edu"> College of Engineering </a>
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          <a href="http://www.nd.edu">University of Notre Dame</a>
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        <h2>Engineering Elastic Responses of Liquid Crystalline Materials</h2>

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          <div class="a"><a href="#"><img src="img/lce.png"
                                          alt="Liquid Crystalline Elastomers"></a></div>
          <div class="b"> Image of the local orientational domains formed in a model for side-chain liquid crystalline elastomers. Upon the addition of elastic
            stress, these merge into a single orientationally aligned phase.</div><br>
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        <p> Liquid crystals (LCs) are a fascinating state of matter exhibiting ordering between that of a liquid and a solid. Importantly, the equilibrium state of a liquid crystal is characterized by a global orienting vector, the director \(\hat{\mathbf{n}}\). These have a wide range of technological applications which exploit their liquid-like flow and orientational ordering, with especially exciting applications as exquisitely responsive biological sensors. These applications result from the orientational elasticity of LCs---local perturbations of \(\hat{\mathbf{n}}\) cost energy, which may be phrased in terms of a local free energy density.

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        Motivated by the recent use of liquid crystalline phases as templates for self-assembly and in novel sensing devices, our group seeks to establish useful models and structure-property relationships for liquid crystalline materials.  We utilize powerful free-energy computation techniques to analyse the elastic properties and thermodynamic response of liquid crystalline materials. This includes the incorporation of particulates, impurities, surface stresses and mechanical deformations. </p>

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        <h2> Related Publications: </h2>

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          <div class="row"> [1] A. A. Joshi, Whitmer, J. K., Guzman, O., Abbott, N. L., & de Pablo, J. J. (2014). Measuring liquid crystal elastic constants with free energy perturbations. Soft Matter, <b>10</b> 882-893. <a href="http://pubs.rsc.org.proxy.library.nd.edu/en/Content/ArticleLanding/2014/SM/C3SM51919H#!divAbstract">Link</a></div>

          <div class="row"> [2] Jonathan K. Whitmer, Chi-cheng Chiu, Abhijeet A. Joshi, and Juan J. de Pablo. "Basis Function Sampling: A New Paradigm for Material Property Computation." Physical Review Letters <b>113</b>, 19 (2014): 190602. <a href="https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.190602">Link</a></div>

          <div class="row"> [3] Hythem Sidky and Jonathan K. Whitmer. "Elastic response and phase behavior in binary liquid crystal mixtures." Soft Matter <b>12</b>, 19 (2016): 4489-4498 <a href="http://pubs.rsc.org/en/Content/ArticleLanding/2016/SM/C5SM03107A#!divAbstract">Link</a></div>

          <div class="row"> [4] Hythem Sidky and Jonathan K. Whitmer. "Elastic properties of  common Gay-Berne nematogens from density of states (DOS) simulations." Liquid Crystals <b>43</b>, 13-15 (2016): 2285-2299. <a href="http://www.tandfonline.com/doi/abs/10.1080/02678292.2016.1201869">Link</a></div>

          <div class="row"> [5] Hythem Sidky and Jonathan K. Whitmer. "The Emergent Nematic Phase in Ionic Chromonic Liquid Crystals" The Journal of Physical Chemistry B <b>121</b>, 27 (2017): 6691–6698 <a href="http://www.tandfonline.com/doi/abs/10.1080/02678292.2016.1201869">Link</a></div>

          <div class="row"> [6] Hythem Sidky, Juan J. de Pablo, and Jonathan K. Whitmer. "Atomistic Molecular Simulations are a Direct Probe of Liquid Crystal Elasticity." <em>Submitted</em>, (2017).</div>

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