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						<h1 itemprop="headline">Tutorial Seminar on Theoretical Methods in Surface Science</h1>
						
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									<h2 class="screenreader-only">Oplysninger om arrangementet</h2>

									
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														Søndag 26. august 2018,
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														&nbsp;kl. 10:00 -  16:00
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													<p class="news-event__info__item__ical-link"><a href="/aktuelt/nyhed/artikel/tutorial-seminar-on-theoretical-methods-in-surface-science?tx_news_pi1%5Bformat%5D=ical&amp;type=9819&amp;cHash=c4b0a2df6740e9b7d2bcaab59a5befd1">Tilføj til kalender</a></p>
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														<p>1525-323</p>
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														<span itemprop="name">Mette Alstrup Lie</span>
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									<div><h1>Tutorial Seminar on Theoretical Methods in Surface Science</h1></div><p>Sunday 26<sup>th&nbsp;</sup>August , 10:00-16:00, €50 (Lunch and coffee included)&nbsp;&nbsp; </p>
<p>&nbsp;</p>
<h3>Density Functional Theory (Prof. Henrik Grönbeck)</h3>
<p>- The total energy as a functional of the electron density<br>- Examples of DFT implementations<br>- Calculations of surface properties for metals and oxides </p>
<h3> Kinetic Monte Carlo (Dr. Mie Andersen)</h3>
<p>-The kinetic Monte Carlo algorithm<br>-Identification of elementary processes and their associated rate constants<br>-Examples of KMC models for catalysis, ion diffusion and crystal growth using the "kmos" software<br>-Current frontiers: low-barrier problem, lateral interactions, sensitivity analysis </p>
<h3>Machine Learning (Prof. Bjørk Hammer)</h3>
<p>- machine learning representations of chemical compounds<br>- automated categorisation of surface structures by unsupervised machine learning<br>- prediction of surface structure energies by supervised machine learning<br>- outlook on use of machine learning in surface science </p>
<p><a href="https://auws.au.dk/default.aspx?id=37131" target="_self"><strong>Please sign up.</strong></a></p>
								
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