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<!DOCTYPE html>
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<title>MTC Srolovitz Group</title>
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<li class="active"><a href="index.html"> <font size="+1"><b>Home</b></font> </a></li>
<li><a href="research.html"> <font size="+1"><b>Research</b></font> </a></li>
<li><a href="team.html"> <font size="+1"><b>Our Team</b></font> </a></li>
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<td valign="center"><font size="+3"><b>David J. Srolovitz</b></font><br>
<span class="clear spacer_responsive_hide_mobile " style="height:5px;display:block;"></span> <font size="+2"><b> Materials Theory and Computation Group</b></font><br>
<span class="clear spacer_responsive_hide_mobile " style="height:5px;display:block;"></span> <font size="+2"><b> The University of Hong Kong</b></font><br>
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<h4>Research Highlights</h4> <div class="post-title pull-left"><a href="https://www.nature.com/articles/s41524-021-00661-y" target="_blank" > <p> Neural network potentials, npj Computational Materials, 2021 </p> </a></div>
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<h4>Research Highlights</h4> <div class="post-title pull-left"><a href="https://www.nature.com/articles/s41467-022-30845-z" target="_blank" > <p> Allotropy in Ultra Stregth Materials, Nature Communications, 2022 </p> </a></div>
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<h3>About the Group</h3>
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<p>The Materials Theory & Computation group headed by Professor David J. Srolovitz focuses on understanding material behaviour through theoretical models and computation. The principal thrust areas are:
<ul>
<li>structure, thermodynamics and properties of defects in materials (including grain boundaries, twins, heterophase interfaces, dislocations, point defects and surfaces)
</li>
<li>the effects of these defects on mechanical deformation, electronic/optical properties, and radiation damage
</li>
<li>new techniques for first-principles, atomistic and statistical mechanics simulations of multiphase, two-dimensional, and topological materials
</li>
<li> development of classical and machine learning potentials for conventional and high entropy alloy systems with density functional theory accuracy
</li>
</ul>
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<div class="post-title pull-left"><a href="https://msmf.fme.vutbr.cz/msmf10/" target="_blank">MSMF 10 Plenary Lecture</a></div>
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<li><i class="fa fa-calendar"></i>12 Sep 2022</li>
<li>
<p>Professor Srolovitz will present "Trends in the Theoretical Strength of Materials".</p>
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Materials Theory and Computation Group<br>
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Meng Wah Complex<br>
The University of Hong Kong<br>
Pokfulam Road, Hong Kong</address>
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