<div dir="ltr"><br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><br></div><div dir="ltr">Director/Professor<div style="font-size:small">Computational Science Research Center</div><div style="font-size:small">San Diego State University</div><div style="font-size:small">5500 Campanile Dr</div><div><span style="font-size:small">San Diego CA 92182-1245</span></div><div><a href="http://www.csrc.sdsu.edu" style="font-size:12.8px" target="_blank">www.csrc.sdsu.edu</a><br></div></div></div></div></div></div></div><br><br><div class="gmail_quote"><div dir="ltr">---------- Forwarded message ---------<br>From: <strong class="gmail_sendername" dir="auto">CSRC Colloquium</strong> <span dir="ltr"><<a href="mailto:csrc.colloquium@sdsu.edu">csrc.colloquium@sdsu.edu</a>></span><br>Date: Mon, Oct 15, 2018 at 9:21 AM<br>Subject: [CSRC.COLLOQUIUM] "Using Machine Learning and Quantum Mechanics to Understand Chemical Reactions on Surfaces"<br>To: CSRC Colloquium <<a href="mailto:csrc.colloquium@sdsu.edu">csrc.colloquium@sdsu.edu</a>><br>Cc: Karen Foehl Palmer <<a href="mailto:kfoehl@sdsu.edu">kfoehl@sdsu.edu</a>><br></div><br><br><div dir="ltr"><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"><b><font size="6">COMPUTATIONAL SCIENCE RESEARCH CENTER AND DEPARTMENT OF CHEMISTRY</font></b><br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"><br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"><br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"><br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black">DATE:</span><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> </span><span style="font-size:13.5pt;font-family:"Verdana",sans-serif;color:black"> </span><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif">Friday, October 19, 2018</span></b></p>
<p class="MsoNormal" style="text-align:center" align="center"><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"><br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> </span></p>
<p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black">TITLE:</span><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> <br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> <br></span></p><p class="MsoNormal" style="text-align:center" align="center"><font size="6"><span style="font-family:verdana,sans-serif"></span></font></p><p class="MsoNormal" style="text-align:center" align="center"><font size="6"><span style="font-family:verdana,sans-serif"><b><span style="background:white none repeat scroll 0% 0%"></span></b></span></font></p><div style="text-align:center"><span style="font-family:verdana,sans-serif"><font size="6"><b><span></span></b></font></span><span style="font-family:verdana,sans-serif"><font size="6"><b><span></span></b></font></span><span style="font-family:verdana,sans-serif"><font size="6"><b><span>Using Machine Learning and Quantum Mechanics to Understand Chemical Reactions on Surfaces</span></b></font><br></span><span style="font-family:verdana,sans-serif"><font size="6"><b><span style="font-size:11pt"></span></b> </font></span></div><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"> </span></p>
<p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"><br></span></p><p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black">TIME:</span><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> </span><span style="font-size:13.5pt;font-family:"Verdana",sans-serif;color:black"> </span><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif">4:00<span style="color:black"> PM</span></span></b></p>
<p class="MsoNormal" style="text-align:center" align="center"><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> </span></p>
<p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black">LOCATION:</span><span style="font-size:10.0pt;font-family:"Verdana",sans-serif;color:black"> <b> </b></span><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif">GMCS 301</span></b></p>
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<p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black">SPEAKER/BIO:</span><span style="font-size:13.5pt;font-family:"Verdana",sans-serif;color:black"> </span><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif"></span></b></p><p class="MsoNormal" style="text-align:center" align="center"><font size="4"><span style="font-family:verdana,sans-serif"><b><span><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif"><span style="color:black"></span></span></b></span></b></span></font><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif"></span></b><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif">Michael Groves</span></b><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif">, Department of Physical and Theoretical Chemistry, California State University, Fullerton <br></span></b><font size="4"><span style="font-family:verdana,sans-serif"><b><span><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif"><span style="color:black"></span></span></b></span><span></span></b></span></font></p><p class="MsoNormal" style="text-align:center" align="center"><b><span style="font-size:18.0pt;font-family:"Verdana",sans-serif"><br></span></b></p>
<p class="MsoNormal" style="text-align:center" align="center"><span style="font-family:"Verdana",sans-serif;color:black"> </span></p>
<p class="MsoNormal"><span style="font-family:"Verdana",sans-serif;color:black"><br></span></p><p class="MsoNormal"><span style="font-family:"Verdana",sans-serif;color:black">ABSTRACT:</span></p>
<p><font size="4"><span style="font-family:verdana,sans-serif">Catalysts, which are substances that increase the rate of a given
chemical reaction without being consumed themselves, have a critical
importance to humanity’s standard of living. For example, ammonia is
used to produce fertilizer. The industrial method to produce ammonia,
which relies on an iron-based catalyst, lead to a dramatic increase in
the human population at the beginning of the 20th century due to
increased crop yields through newly abundant access to fertilizer. It
is usually preferable for the catalyst to be in a different phase than
the chemicals undergoing the reaction for easy separation. This is
called Heterogeneous Catalysis. What this talk will cover is my
research group’s efforts to computationally predict the structure of new
heterogeneous catalysts and then test their effectiveness in heath and
energy related applications. We will discuss how machine learning and
quantum mechanical methods play an active role in screening next
generation catalysts designed to solve current problems.</span></font></p><font size="4"><span style="font-family:verdana,sans-serif">
</span></font><h2><font size="4"><span style="font-family:verdana,sans-serif"><span style="font-weight:normal"><span></span></span><span><span style="font-weight:normal"></span></span></span></font></h2><font size="4"><span style="font-family:verdana,sans-serif">
</span></font><h2><font size="4"><span style="font-family:verdana,sans-serif"> </span></font></h2>
<h2><span style="font-size:11.0pt;font-family:"Verdana",sans-serif;color:black;font-weight:normal">HOST:</span><span style="font-family:"Verdana",sans-serif;color:#1f497d"> </span>Andrew Cooksy</h2></div>
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